Information card for entry 1504453

Structure parameters

• Formula: C37 H45 N O5
• Calculated formula: C37 H45 N O5
• SMILES: N1(c2c3cc4OCOc4cc3ccc2c2c([C@H]1CC1=C[C@@H]3[C@@H](CC1)[C@](OC)(CC[C@H]3C(C)C)C)c(OC)c(OC)cc2)C
• Title of publication: Dihydrobenzo[c]phenanthridine alkaloids from stem bark of Zanthoxylum nitidum.
• Authors of publication: Yang, Cheng-Hui; Cheng, Ming-Jen; Chiang, Michael Y.; Kuo, Yueh-Hsiung; Wang, Chyi-Jia; Chen, Ih-Sheng
• Journal of publication: Journal of natural products
• Year of publication: 2008
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 669 - 673
• a: 6.9588 ± 0.0017 Å
• b: 12.409 ± 0.003 Å
• c: 18.863 ± 0.004 Å
• α: 90°
• β: 90 ± 0.02°
• γ: 90°
• Cell volume: 1628.9 ± 0.7 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: 0.2198
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No