Information card for entry 4127388

Structure parameters

• Formula: C21 H34 N O2
• Calculated formula: C21 H33 N O2
• SMILES: O[C@@H]1O[C@@]23CCC[C@@H]4N5[C@@H]6[C@@]3(C1)[C@](C)([C@H](C[C@H]24)C5)CC[C@@H]6C(C)C
• Title of publication: Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.
• Authors of publication: Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 29
• Pages of publication: 11713 - 11720
• a: 8.2356 ± 0.001 Å
• b: 14.7564 ± 0.0017 Å
• c: 14.756 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 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: 0.0434
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No