Information card for entry 7208963

Structure parameters

• Formula: C18 H17 N O6 S
• Calculated formula: C18 H17 N O6 S
• Title of publication: Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids
• Authors of publication: Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 27
• a: 15.3346 ± 0.0008 Å
• b: 7.291 ± 0.0004 Å
• c: 16.1284 ± 0.0009 Å
• α: 90°
• β: 104.857 ± 0.004°
• γ: 90°
• Cell volume: 1742.94 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No