Information card for entry 1502823

Structure parameters

• Formula: C28 H28 N4 O5
• Calculated formula: C28 H28 N4 O4
• SMILES: O(c1cnc(c2c1c1cccc(OC)c1[nH]2)CCC(O)c1nccc2c3ccccc3[nH]c12)C.OC
• 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: 6.3318 ± 0.0008 Å
• b: 13.7667 ± 0.0018 Å
• c: 13.9124 ± 0.001 Å
• α: 90.472 ± 0.008°
• β: 90.815 ± 0.008°
• γ: 91.818 ± 0.01°
• Cell volume: 1211.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No