Information card for entry 1507802

Structure parameters

• Formula: C25 H37 N O5
• Calculated formula: C25 H37 N O5
• SMILES: O1[C@](OC)(CC)CC[C@@]2([C@@]34C[C@@H](C(=O)OCC)[C@@H]5C3=C(C(=O)C5)CC[C@@H]2CN(C4)C)C1
• Title of publication: Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum.
• Authors of publication: Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 1076 - 1082
• a: 14.3257 ± 0.0004 Å
• b: 14.3257 ± 0.0004 Å
• c: 11.4299 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2345.71 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No