Information card for entry 1505319

Structure parameters

• Formula: C18 H21 N O4
• Calculated formula: C18 H21 N O4
• SMILES: O(c1c(OC)cc2[C@@H]3CC(=O)C[C@@]43N(CCC4)C(=O)Cc2c1)C.O(c1c(OC)cc2[C@H]3CC(=O)C[C@]43N(CCC4)C(=O)Cc2c1)C
• Title of publication: Novel formal synthesis of cephalotaxine via a facile Friedel-Crafts cyclization.
• Authors of publication: Li, Wei-Dong Z; Wang, Xin-Wei
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1211 - 1214
• a: 8.576 ± 0.002 Å
• b: 7.604 ± 0.0018 Å
• c: 24.573 ± 0.006 Å
• α: 90°
• β: 99.323 ± 0.004°
• γ: 90°
• Cell volume: 1581.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No