Information card for entry 1503685

Structure parameters

• Formula: C36 H54 N2 O6
• Calculated formula: C36 H54 N2 O6
• SMILES: O1CN[C@@H]2[C@@](C1)([C@H]1[C@]3(CC2)[C@]2([C@@H](CC1)[C@]1([C@](CC2)([C@H]([C@H](OC(=O)c2cc(OC)c(O)c(OC)c2)C1)[C@@H](N(C)C)C)C)C)C3)C
• Title of publication: Cytotoxic triterpenoid alkaloids from Buxus microphylla.
• Authors of publication: Yan, Yu-Xin; Hu, Xiao-Dong; Chen, Jian-Chao; Sun, Yun; Zhang, Xian-Min; Qing, Chen; Qiu, Ming-Hua
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 308 - 311
• a: 6.778 ± 0.0012 Å
• b: 7.8277 ± 0.0014 Å
• c: 16.835 ± 0.003 Å
• α: 81.293 ± 0.002°
• β: 87.547 ± 0.002°
• γ: 72.743 ± 0.002°
• Cell volume: 843.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No