Information card for entry 7225563

Structure parameters

• Formula: C21 H29 N3 O3
• Calculated formula: C21 H29 N3 O3
• SMILES: O=C1O[C@@H]2[C@]3(Nc4c([C@@]53CCN3CCC[C@@](C2)(CC)[C@H]53)cccc4)N1.OC
• Title of publication: Winchinines A and B, two unusual monoterpene indole alkaloids with a third nitrogen atom from Winchia calophylla
• Authors of publication: Li, Yu-Ting; Gao, Xian-Da; Zhang, Wei; Huang, Xiao-Jun; Zhang, Dongmei; Jiang, Renwang; Wang, Lei; Zhang, Xiaoqi; Ye, Wen-Cai
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.896 ± 0.001 Å
• b: 8.4207 ± 0.0007 Å
• c: 14.3158 ± 0.0016 Å
• α: 80.843 ± 0.008°
• β: 81.536 ± 0.01°
• γ: 89.868 ± 0.008°
• Cell volume: 929.27 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No