Information card for entry 7235315

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: 6.9045 ± 0.0002 Å
• b: 7.9441 ± 0.0002 Å
• c: 15.2565 ± 0.0004 Å
• α: 82.911 ± 0.001°
• β: 77.052 ± 0.001°
• γ: 81.884 ± 0.001°
• Cell volume: 803.71 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No