Information card for entry 1516653

Structure parameters

• Formula: C24 H33 N O6
• Calculated formula: C24 H33 N O6
• SMILES: O1[C@@H]2[C@]34N(C[C@@H]5[C@](C4)([C@]2(C2=CCC[C@@H]2CC5)CCC1=O)CO)C[C@]1([C@@H]3OC(=O)C1)C.O
• Title of publication: Daphlongeranines A and B, two novel alkaloids possessing unprecedented skeletons from Daphniphyllum longeracemosum.
• Authors of publication: Li, Chun-Shun; Di, Ying-Tong; He, Hong-Ping; Gao, Suo; Wang, Yue-Hu; Lu, Yang; Zhong, Jia-Liang; Hao, Xiao-Jiang
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2509 - 2512
• a: 13.576 ± 0.001 Å
• b: 8.049 ± 0.001 Å
• c: 10.772 ± 0.001 Å
• α: 90°
• β: 109.89 ± 0.01°
• γ: 90°
• Cell volume: 1106.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No