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Crystalclear

Manufactured by Rigaku
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Sourced in Japan

CrystalClear is a software package designed for processing and analyzing single-crystal X-ray diffraction data. It provides a comprehensive set of tools for data reduction, structure solution, and refinement.

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Lab products found in correlation

Crystalstructure, by Rigaku (15 mentions) Crysalis pro, by Rigaku (5 mentions) Xtalab p200, by Rigaku (4 mentions) Saturn ccd area detector diffractometerabsorption, by Rigaku (2 mentions) Saturn724 ccd diffractometerabsorption, by Rigaku (2 mentions) Afc10 saturn724 ccd detector diffractometerabsorption, by Rigaku (2 mentions) Micromax 007hf, by Rigaku (2 mentions) Saturn diffractometerabsorption, by Rigaku (2 mentions) Saturn724 diffractometerabsorption, by Rigaku (2 mentions) Afc10 saturn724 diffractometerabsorption, by Rigaku (2 mentions) Saturn70 diffractometerabsorption, by Rigaku (2 mentions) R axis conversion diffractometerabsorption, by Rigaku (1 mentions) Raxis 4 imaging plate detector, by Rigaku (1 mentions) Micromax 007, by Rigaku (1 mentions) Saturn70 ccd diffractometerabsorption, by Rigaku (1 mentions) Rapid auto, by Rigaku (1 mentions) Saturn ccd area detector, by Rigaku (1 mentions)

80 protocols using crystalclear

1

Single Crystal X-Ray Diffraction Protocol

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Data collection: CrystalClear (Rigaku, 2008 ▶ ); cell refinement: CrystalClear (Rigaku, 2008 ▶ ); data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶ ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶ ); molecular graphics: DIAMOND (Brandenburg, 1998 ▶ ); software used to prepare material for publication: CrystalStructure (Rigaku, 2008 ▶ ).
Zhu S., Parveen S, & Zhu C. (2014). 2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 7), o775.
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2

Single Crystal X-Ray Diffraction Analysis

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Data collection: CrystalClear (Rigaku, 2000 ▶ ); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku, 2000 ▶ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶ ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶ ); molecular graphics: SHELXTL (Sheldrick, 2008 ▶ ); software used to prepare material for publication: SHELXTL.
Shao Y., Xia Y.A., Wu Z.H, & Liu X.L. (2014). (E)-3-(Oxolan-2-yl­idene)-1-phenyl­pyrrolidine-2,5-dione. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 5), o521.
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3

Single-crystal X-ray Diffraction of DMCA Polymorphs

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Single-crystal X-ray data of form II and of the truxillic acid were collected on a Rigaku Mercury 375/M CCD (XtaLAB mini) diffractometer using graphite-monochromated Mo Kα radiation at 150 K. The data were processed with the CrystalClear software (Rigaku, 2009 ▸ ). The structure solution was performed by direct methods, and refinements were executed using SHELX97 (Sheldrick, 2008 ▸ ) and the WinGX (Farrugia, 1999 ▸ ) suite of programs. Refinement of coordinates and anisotropic displacement parameters of non-H atoms were carried out with the full-matrix least-squares method. Face indexing of good quality single crystals of DMCA polymorphs was performed with CrystalClear and the major faces were assigned (see the supporting information §S1). Crystallographic CIF files (CCDC No. 1409385 and 1409386) are also available at www.ccdc.cam.ac.uk/data_request/cif.
Mishra M.K., Mukherjee A., Ramamurty U, & Desiraju G.R. (2015). Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion. IUCrJ, 2(Pt 6), 653-660.
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4

Single Crystal Structure Determination

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Data collection: CrystalClear (Rigaku/MSC, 2005 ▸ ); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▸ ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▸ ); molecular graphics: SHELXTL (Sheldrick, 2008 ▸ ); software used to prepare material for publication: CrystalStructure (Rigaku/MSC, 2005 ▸ ).
, & Wang H. (2015). Crystal structure of (E)-3-[4-(benzyl­idene­amino)-5-sulfanyl­idene-3-(p-tol­yl)-4,5-di­hydro-1H-1,2,4-triazol-1-yl]-3-(4-meth­oxy­phen­yl)-1-phenyl­propan-1-one. Acta Crystallographica Section E: Crystallographic Communications, 71(Pt 12), o1080-o1081.
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5

Single-crystal X-ray Diffraction Protocol

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Rigaku Saturn CCD area-detector diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005 ▸ ) Tmin = 0.969, Tmax = 0.982

11718 measured reflections

4778 independent reflections

3450 reflections with I > 2σ(I)

Rint = 0.057

, & Wang H. (2015). Crystal structure of (E)-3-[4-(benzyl­idene­amino)-5-sulfanyl­idene-3-(p-tol­yl)-4,5-di­hydro-1H-1,2,4-triazol-1-yl]-3-(4-meth­oxy­phen­yl)-1-phenyl­propan-1-one. Acta Crystallographica Section E: Crystallographic Communications, 71(Pt 12), o1080-o1081.
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6

Single Crystal X-Ray Diffraction Analysis

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Data collection: CrystalClear (Rigaku, 2011 ▸ ); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▸ ); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015 ▸ ); molecular graphics: Mercury (Macrae et al., 2008 ▸ ); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009 ▸ ).
Manjula P.S., Sarojini B.K., Narayana B., Byrappa K, & Madan Kumar S. (2015). Crystal structure of (E)-3-(4-hy­droxy­benz­yl)-4-{[4-(methyl­sulfan­yl)benzyl­idene]amino}-1H-1,2,4-triazole-5(4H)-thione. Acta Crystallographica Section E: Crystallographic Communications, 71(Pt 12), o982-o983.
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7

Single Crystal X-ray Diffraction Protocol

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Rigaku SCXmini diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ▶ ) Tmin = 0.983, Tmax = 0.983

5810 measured reflections

1940 independent reflections

1701 reflections with I > 2σ(I)

Rint = 0.037

Shen Z., Mao Q.X., Ge J.L., Tu Y.R, & Wang Y. (2014). Crystal structure of 2-chloro-1-(6-fluoro-3,4-di­hydro-2H-chromen-2-yl)ethanone. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 10), o1087.
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8

Single Crystal X-ray Structure Determination

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Data collection: CrystalClear (Rigaku, 2005 ▶ ); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶ ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶ ); molecular graphics: DIAMOND (Brandenburg & Putz, 2005 ▶ ); software used to prepare material for publication: SHELXL97.
Shen Z., Mao Q.X., Ge J.L., Tu Y.R, & Wang Y. (2014). Crystal structure of 2-chloro-1-(6-fluoro-3,4-di­hydro-2H-chromen-2-yl)ethanone. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 10), o1087.
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9

Single Crystal X-ray Diffraction Protocol

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Data collection: CrystalClear (Rigaku, 2008 ▸ ); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▸ ); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015 ▸ ); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
Song J., Zhou Q, & Wang A. (2015). Crystal structure of 2-butyl­sulfanyl-4,6-bis­[(E)-4-(di­methyl­amino)­styr­yl]pyrimidine. Acta Crystallographica Section E: Crystallographic Communications, 71(Pt 12), o978.
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10

Single Crystal X-ray Diffraction Analysis

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Data collection: CrystalClear (Rigaku, 2008 ▶ ); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SIR2011 (Burla et al., 2012 ▶ ); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008 ▶ ); molecular graphics: CrystalStructure (Rigaku, 2014 ▶ ); software used to prepare material for publication: CrystalStructure.
Inomata M, & Suenaga Y. (2014). Crystal structure of a dinuclear CoII complex with bridging fluoride ligands: di-μ-fluorido-bis­{tris­[(6-methyl­pyridin-2-yl)meth­yl]amine}­dicobalt(II) bis­(tetra­fluorido­borate). Acta Crystallographica Section E: Structure Reports Online, 70(Pt 11), m359-m360.
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