Information card for entry 1502822

Structure parameters

• Formula: C29 H26 N4 O3
• Calculated formula: C29 H26 N4 O3
• SMILES: O(c1cnc(c2[nH]c3c(c12)cccc3OC)[C@@H]1CC[C@H]1c1c2[nH]c3c(c2c(OC)cn1)cccc3)C.O(c1cnc(c2[nH]c3c(c12)cccc3OC)[C@H]1CC[C@@H]1c1c2[nH]c3c(c2c(OC)cn1)cccc3)C
• Title of publication: Quassidines A-D, bis-beta-carboline alkaloids from the stems of Picrasma quassioides.
• Authors of publication: Jiao, Wei-Hua; Gao, Hao; Li, Chen-Yang; Zhao, Feng; Jiang, Ren-Wang; Wang, Ying; Zhou, Guang-Xiong; Yao, Xin-Sheng
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 167 - 171
• a: 12.151 ± 0.002 Å
• b: 8.4812 ± 0.0017 Å
• c: 22.796 ± 0.005 Å
• α: 90°
• β: 91.48 ± 0.03°
• γ: 90°
• Cell volume: 2348.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No