Information card for entry 1504452

Structure parameters

• Formula: C37 H45 N O5
• Calculated formula: C37 H45 N O5
• SMILES: O1c2cc3c(cc2OC1)c1N([C@@H](c2c(OC)c(OC)ccc2c1cc3)CC1=C[C@@H]2[C@H](CC1)[C@@](OC)(CC[C@H]2C(C)C)C)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: 6.415 ± 0.003 Å
• b: 19.316 ± 0.007 Å
• c: 26.196 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3246 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0832
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No