Information card for entry 1501989

Structure parameters

• Formula: C24 H30 N2 O5
• Calculated formula: C24 H30.01 N2.01 O5.02
• SMILES: O[C@@]1([C@@H]([C@H]([C@H](N(=O)=O)[C@@H]1CCCCCC)c1ccc(OC)cc1)C=O)c1ncccc1
• Title of publication: Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.
• Authors of publication: Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1338 - 1341
• a: 5.6207 ± 0.0004 Å
• b: 21.3127 ± 0.0015 Å
• c: 37.844 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4533.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No