Information card for entry 7235317

Structure parameters

• Formula: C29 H36 N2 O12 S3
• Calculated formula: C29 H36 N2 O12 S3
• Title of publication: Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies
• Authors of publication: Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 8125
• a: 6.9689 ± 0.0005 Å
• b: 8.0453 ± 0.0005 Å
• c: 14.9788 ± 0.001 Å
• α: 93.118 ± 0.003°
• β: 101.808 ± 0.003°
• γ: 98.412 ± 0.003°
• Cell volume: 810.11 ± 0.09 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: 0.1501
• Residual factor for significantly intense reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.2823
• Weighted residual factors for all reflections included in the refinement: 0.3106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No