Information card for entry 1555224

Structure parameters

• Formula: C41 H36 N2 O9
• Calculated formula: C41 H36 N2 O9
• SMILES: O1COc2ccc3c4ccc5c(cc6OCOc6c5)c4N([C@H](c3c12)[C@@H]1c2c(CN(CCc3c(cc4OCOc4c3)C1=O)C)c(OC)c(OC)cc2)C.O1COc2ccc3c4ccc5c(cc6OCOc6c5)c4N([C@@H](c3c12)[C@H]1c2c(CN(CCc3c(cc4OCOc4c3)C1=O)C)c(OC)c(OC)cc2)C
• Title of publication: Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.
• Authors of publication: Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4102 - 4105
• a: 19.0503 ± 0.0004 Å
• b: 11.68507 ± 0.00017 Å
• c: 14.8134 ± 0.0003 Å
• α: 90°
• β: 92.939 ± 0.0019°
• γ: 90°
• Cell volume: 3293.19 ± 0.11 ų
• Cell temperature: 102.3 K
• Ambient diffraction temperature: 102.3 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: 0.0476
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No