Information card for entry 7201789

Structure parameters

• Formula: C21 H29 N O7 S
• Calculated formula: C21 H29 N O7 S
• Title of publication: Preferential crystallization (AS3PC mode) of modafinic acid: an example of productivity enhancement by addition of a non-chiral base
• Authors of publication: Wermester, Nicolas; Lambert, Olivier; Coquerel, Gérard
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 724
• a: 5.4997 ± 0.0004 Å
• b: 13.5883 ± 0.0009 Å
• c: 30.125 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2251.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No