Information card for entry 7235318

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: 6.8789 ± 0.0006 Å
• b: 8.1405 ± 0.0007 Å
• c: 14.5005 ± 0.0013 Å
• α: 92.437 ± 0.005°
• β: 98.844 ± 0.005°
• γ: 99.96 ± 0.005°
• Cell volume: 788.25 ± 0.12 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: 0.0857
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No