Information card for entry 7131101

Structure parameters

• Formula: C32 H41 N O7
• Calculated formula: C32 H41 N O7
• SMILES: O(C)C(=O)[C@H]1ON2[C@@H]([C@H](c3c(c4C[C@@H]5[C@]6(CC[C@H](O)CC6=CC[C@H]5c4cc3)C)C)C)[C@H](O)C[C@@]3(OC(=O)[C@H]1[C@H]23)C
• Title of publication: Steroidal alkaloid with unprecedented triheterocyclic architecture.
• Authors of publication: Zhou, Zhong-Shun; Zhao, Yun-Li; Hu, Bin-Yuan; Wang, Bei; Liu, Ya-Ping; Zhu, Yan-Yan; He, Ying-Jie; Wang, Zhao-Jie; Dai, Zhi; Zhao, Li-Xing; Luo, Xiao-Dong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 3
• Pages of publication: 326 - 329
• a: 11.4439 ± 0.0011 Å
• b: 7.5246 ± 0.0007 Å
• c: 17.3527 ± 0.0017 Å
• α: 90°
• β: 96.303 ± 0.004°
• γ: 90°
• Cell volume: 1485.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No