Information card for entry 1555225

Structure parameters

• Formula: C40 H32 N2 O9
• Calculated formula: C40 H32 N2 O9
• SMILES: O1COc2c3c(ccc12)c1c(N(C)[C@H]3[C@H]2c3c(c4OCOc4cc3)CN(CCc3cc4OCOc4cc3C2=O)C)c2cc3OCOc3cc2cc1.O1COc2c3c(ccc12)c1c(N(C)[C@@H]3[C@@H]2c3c(c4OCOc4cc3)CN(CCc3cc4OCOc4cc3C2=O)C)c2cc3OCOc3cc2cc1
• 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: 13.9815 ± 0.0008 Å
• b: 16.6793 ± 0.0006 Å
• c: 26.5582 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6193.4 ± 0.5 ų
• Cell temperature: 217.9 K
• Ambient diffraction temperature: 217.9 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No