Information card for entry 7225074

Structure parameters

• Chemical name: 21-deoxymacropodumine D
• Formula: C24 H35 N O5
• Calculated formula: C24 H35 N O5
• SMILES: O=C1[C@@H]2[C@H]3N(C[C@@H]4[C@]([C@H]3O)([C@]31C1=C(CC4)CC[C@@H]1[C@@H](C3)C(=O)OC)C)C[C@H]2C.OC
• Title of publication: New alkaloids from Daphniphyllum himalense
• Authors of publication: Zhang, Hua; Zhang, Dong-Dong; Li, Jing-Ya; Shyaula, Sajan L.; Li, J.; Yue, Jianmin
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.7411 ± 0.0002 Å
• b: 9.053 ± 0.0002 Å
• c: 11.5845 ± 0.0002 Å
• α: 90°
• β: 93.443 ± 0.001°
• γ: 90°
• Cell volume: 1124.43 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0511
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No