Information card for entry 7153813

Structure parameters

• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: N12CC[C@@H]3C=C(OC)[C@H](O)[C@H](c4cc5OCOc5cc4C1)[C@H]23
• Title of publication: Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.
• Authors of publication: Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 3191 - 3200
• a: 9.1314 ± 0.0013 Å
• b: 12.4725 ± 0.0018 Å
• c: 12.8711 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1465.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No