Information card for entry 7235312

Structure parameters

• Formula: C15 H19 N O6 S
• Calculated formula: C15 H19 N O6 S
• 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: 7.0252 ± 0.0015 Å
• b: 8.1514 ± 0.0016 Å
• c: 14.875 ± 0.003 Å
• α: 97.853 ± 0.011°
• β: 103.477 ± 0.008°
• γ: 100.941 ± 0.008°
• Cell volume: 798.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2373
• Residual factor for significantly intense reflections: 0.1915
• Weighted residual factors for significantly intense reflections: 0.4683
• Weighted residual factors for all reflections included in the refinement: 0.4949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No