Information card for entry 7208967

Structure parameters

• Formula: C21 H23 N O8 S
• Calculated formula: C21 H23 N O8 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: 9.6186 ± 0.0003 Å
• b: 11.3663 ± 0.0004 Å
• c: 11.7792 ± 0.0006 Å
• α: 61.273 ± 0.002°
• β: 76.368 ± 0.003°
• γ: 67.977 ± 0.002°
• Cell volume: 1044.45 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No