Information card for entry 4023926

Structure parameters

• Formula: C24 H23 N O6
• Calculated formula: C24 H23 N O6
• SMILES: N1(C(=O)CO[C@@]2(OC[C@H]3OC(O[C@H]3C2=O)(C)C)C1)C1c2ccccc2c2ccccc12
• Title of publication: Asymmetric Epoxidation of 1,1-Disubstituted Terminal Olefins by Chiral Dioxirane via a Planar-like Transition State
• Authors of publication: Bin Wang; O. Andrea Wong; Mei-Xin Zhao; Yian Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9539 - 9543
• a: 6.764 ± 0.0003 Å
• b: 10.3317 ± 0.0003 Å
• c: 28.5745 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1996.89 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No