Information card for entry 4029323

Structure parameters

• Formula: C19 H20 N2 O2
• Calculated formula: C19 H20 N2 O2
• SMILES: [nH]1c2[C@H]3N4[C@@H](C(=O)c2c2ccccc12)[C@@H]([C@@H](C3)C(=C\C)/C4)CO
• Title of publication: Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.
• Authors of publication: Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 3776 - 3780
• a: 9.6247 ± 0.0004 Å
• b: 11.6485 ± 0.0005 Å
• c: 13.7072 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.76 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No