Information card for entry 7235322

Structure parameters

• Formula: C11 H11 N O6 S
• Calculated formula: C11 H11 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: 5.1963 ± 0.0001 Å
• b: 29.5944 ± 0.0006 Å
• c: 9.2515 ± 0.0002 Å
• α: 90°
• β: 99.075 ± 0.001°
• γ: 90°
• Cell volume: 1404.9 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1123
• 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: Yes
• Has Fobs: No