Information card for entry 7208966

Structure parameters

• Formula: C36 H34 N2 O12 S2
• Calculated formula: C36 H34 N2 O12 S2
• 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: 10.3597 ± 0.0005 Å
• b: 13.9938 ± 0.0007 Å
• c: 11.8314 ± 0.0006 Å
• α: 90°
• β: 97.721 ± 0.003°
• γ: 90°
• Cell volume: 1699.67 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No