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Crysalis pro

Manufactured by Agilent Technologies
Sourced in United Kingdom, United States

CrysAlis PRO is a software suite for single crystal X-ray diffraction data collection and processing. It provides a comprehensive solution for crystal characterization, data acquisition, and data reduction.

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479 protocols using crysalis pro

1

Structural Analysis of Vamorolone

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All reflection intensities were measured at 110(2) K using a SuperNova diffractometer (equipped with Atlas detector) with Cu Kα radiation (λ = 1.54178 Å) under the program CrysAlisPro (Version 1.171.36.32 Agilent Technologies, 2013). The same program was used to refine the cell dimensions and for data reduction. The structure was solved with computer programs CrysAlis PRO, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171.NET) (compiled Aug 2, 2013, 16:46:58), SHELXS2014/7, SHELXL2014/7, and SHELXTL v6.10 [25 (link)].
Analytical numeric absorption correction using a multifaceted crystal model was applied using CrysAlisPro. The temperature of the data collection was controlled using the system Cryojet (manufactured by Oxford Instruments). The H atoms were placed at calculated positions using the instructions AFIX 13, AFIX 23, AFIX 43, AFIX 137 or AFIX 147 with isotropic displacement parameters having values 1.2 or 1.5 Ueq of the attached C or O atoms.
The structural coordinates of the X-ray crystal structure of vamorolone have been deposited in the Cambridge Crystallographic Data Centre, deposition number CCDC 1557034.
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2

Structural Analysis of Vamorolone

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All reflection intensities were measured at 110(2) K using a SuperNova diffractometer (equipped with Atlas detector) with Cu Kα radiation (λ = 1.54178 Å) under the program CrysAlisPro (Version 1.171.36.32 Agilent Technologies, 2013). The same program was used to refine the cell dimensions and for data reduction. The structure was solved with computer programs CrysAlis PRO, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171.NET) (compiled Aug 2, 2013, 16:46:58), SHELXS2014/7, SHELXL2014/7, and SHELXTL v6.10 [25 (link)].
Analytical numeric absorption correction using a multifaceted crystal model was applied using CrysAlisPro. The temperature of the data collection was controlled using the system Cryojet (manufactured by Oxford Instruments). The H atoms were placed at calculated positions using the instructions AFIX 13, AFIX 23, AFIX 43, AFIX 137 or AFIX 147 with isotropic displacement parameters having values 1.2 or 1.5 Ueq of the attached C or O atoms.
The structural coordinates of the X-ray crystal structure of vamorolone have been deposited in the Cambridge Crystallographic Data Centre, deposition number CCDC 1557034.
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3

Single Crystal Structure Determination

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO (Agilent, 2012 ▶ ); data reduction: CrysAlis PRO (Agilent, 2012 ▶ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶ ); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008 ▶ ); molecular graphics: SHELXTL (Sheldrick, 2008 ▶ ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶ ).
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4

Single Crystal X-ray Diffraction

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO (Agilent, 2012 ▶ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶ ); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008 ▶ ); molecular graphics: SHELXTL (Sheldrick, 2008 ▶ ); software used to prepare material for publication: SHELXTL.
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5

Single Crystal X-Ray Analysis

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2012 ▶ ); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007 ▶ ); program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008 ▶ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶ ); software used to prepare material for publication: OLEX2.
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6

Single Crystal X-ray Structure Determination

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2012 ▶ ); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007 ▶ ; Palatinus & van der Lee, 2008 ▶ ; Palatinus et al., 2012 ▶ ).; program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008 ▶ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶ ); software used to prepare material for publication: OLEX2.
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7

Crystallographic Data Analysis Workflow

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Data collection: CrysAlis PRO (Agilent, 2014 ▸ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2014 ▸ ); program(s) used to solve structure: SHELXT (Sheldrick, 2015a ▸ ); program(s) used to refine structure: SHELXL (Sheldrick, 2015b ▸ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▸ ); software used to prepare material for publication: OLEX2.
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8

Single Crystal X-Ray Analysis

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2012 ▶ ); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007 ▶ ); program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008 ▶ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶ ); software used to prepare material for publication: OLEX2.
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9

Single Crystal X-Ray Analysis

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2012 ▶ ); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007 ▶ ); program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008 ▶ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶ ); software used to prepare material for publication: OLEX2.
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10

Single Crystal X-Ray Analysis

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2012 ▶ ); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007 ▶ ); program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008 ▶ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶ ); software used to prepare material for publication: OLEX2.
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