Information card for entry 1515979

Structure parameters

• Formula: C14 H19 N O4
• Calculated formula: C14 H19 N O4
• SMILES: O=C1C[C@@H]2CC[C@@]3(N(=O)=O)[C@@H](O)CCC[C@@H]3[C@H]2C=C1
• Title of publication: One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.
• Authors of publication: Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2724 - 2727
• a: 7.3853 ± 0.0002 Å
• b: 10.1226 ± 0.0002 Å
• c: 17.8638 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.47 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No