Information card for entry 7156692

Structure parameters

• Formula: C21 H24 N2 O6 S
• Calculated formula: C21 H24 N2 O6 S
• Title of publication: Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.
• Authors of publication: Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2753 - 2758
• a: 9.5182 ± 0.0015 Å
• b: 9.9604 ± 0.0015 Å
• c: 10.7803 ± 0.0017 Å
• α: 89.926 ± 0.004°
• β: 89.896 ± 0.004°
• γ: 89.878 ± 0.004°
• Cell volume: 1022 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No