Information card for entry 4023924

Structure parameters

• Formula: C13 H17 N O7
• Calculated formula: C13 H17 N O7
• SMILES: N1(C[C@]2(OC[C@H]3OC(O[C@H]3C2=O)(C)C)OCC1=O)C(=O)C
• 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: 7.6742 ± 0.0002 Å
• b: 13.4254 ± 0.0003 Å
• c: 13.2089 ± 0.0003 Å
• α: 90°
• β: 94.302 ± 0.002°
• γ: 90°
• Cell volume: 1357.07 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No