Information card for entry 7208964

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: 7.3283 ± 0.0002 Å
• b: 7.7161 ± 0.0002 Å
• c: 16.2329 ± 0.0004 Å
• α: 90.86 ± 0.001°
• β: 97.774 ± 0.002°
• γ: 112.116 ± 0.002°
• Cell volume: 840.38 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No