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Information card for entry 1555224
Preview
Coordinates | 1555224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H36 N2 O9 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555224.html
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Users of the data should acknowledge the original authors of the
structural data.