Information card for entry 7213175

Structure parameters

• Formula: C21 H26 N2 O8
• Calculated formula: C21 H26 N2 O8
• SMILES: c1(cc(cc(c1)N(=O)=O)C(=O)OC[C@@]1(CCCC)C=CC2(C1)O[C@@H]([C@H](O2)C)C)N(=O)=O
• Title of publication: Mechanism and applications of lithium amide-induced asymmetric rearrangements of 4-substituted and 4,4-disubstituted cyclopentene oxides to cyclopentenols
• Authors of publication: Hodgson, David M.; Gibbs, Andrew R.; Drew, Michael G. B.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 3579
• a: 37.76 ± 0.04 Å
• b: 5.74 ± 0.006 Å
• c: 10.91 ± 0.012 Å
• α: 90°
• β: 98.24 ± 0.01°
• γ: 90°
• Cell volume: 2340 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No