Information card for entry 7152699

Structure parameters

• Formula: C20 H24 Br N O8
• Calculated formula: C20 H24 Br N O8
• SMILES: Brc1ccccc1[C@@H]1C(CC[C@H]([C@H]1N(=O)=O)CC(=O)OCC)(C(=O)OC)C(=O)OC
• Title of publication: Concise construction of the tetracyclic core of lycorine-type alkaloids and the formal synthesis of α-lycorane based on asymmetric bifunctional thiourea-catalyzed cascade reaction.
• Authors of publication: Wang, Yao; Luo, Yong-Chun; Zhang, Hong-Bo; Xu, Peng-Fei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 41
• Pages of publication: 8211 - 8215
• a: 10.122 ± 0.006 Å
• b: 10.799 ± 0.006 Å
• c: 20.017 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2188 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1185
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No