Information card for entry 4024741

Structure parameters

• Formula: C20 H25 N O6
• Calculated formula: C20 H25 N O6
• SMILES: N1(C[C@]2(OC[C@H]3OC(O[C@H]3C2=O)(C)C)OC(C1=O)(C)C)c1ccc(cc1)C
• Title of publication: Asymmetric Epoxidation Catalyzed by α,α-Dimethylmorpholinone Ketone. Methyl Group Effect on Spiro and Planar Transition States
• Authors of publication: O. Andrea Wong; Bin Wang; Mei-Xin Zhao; Yian Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6335 - 6338
• a: 10.4164 ± 0.0003 Å
• b: 17.5391 ± 0.0005 Å
• c: 21.0938 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3853.72 ± 0.19 ų
• Cell temperature: 100 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: 0.0936
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No