Information card for entry 1505320

Structure parameters

• Formula: C18 H26 Cl N O4
• Calculated formula: C18 H26 Cl N O4
• SMILES: [Cl-].O(C)c1cc2c(cc1OC)CC[NH+]1[C@@]3(CCC1)[C@H]2CC(=O)C3.O.[Cl-].O(C)c1cc2c(cc1OC)CC[NH+]1[C@]3(CCC1)[C@@H]2CC(=O)C3.O
• 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: 7.477 ± 0.009 Å
• b: 10.37 ± 0.013 Å
• c: 11.367 ± 0.014 Å
• α: 92.785 ± 0.014°
• β: 94.308 ± 0.016°
• γ: 92.272 ± 0.015°
• Cell volume: 877 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No