Information card for entry 7205633

Structure parameters

• Formula: C24 H26 N2 O12 S2
• Calculated formula: C24 H26 N2 O12 S2
• SMILES: S(=O)(=O)(N[C@H](C(=O)O)C)c1ccc(C2C(C(=O)O)C(C2C(=O)O)c2ccc(S(=O)(=O)N[C@H](C(=O)O)C)cc2)cc1
• Title of publication: Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid
• Authors of publication: Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3134
• a: 7.075 ± 0.0003 Å
• b: 8.3144 ± 0.0004 Å
• c: 11.1366 ± 0.0005 Å
• α: 94.937 ± 0.003°
• β: 102.315 ± 0.003°
• γ: 102.312 ± 0.003°
• Cell volume: 619.34 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No