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Information card for entry 4022841
Preview
Coordinates | 4022841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H29 N O7 |
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Calculated formula | C27 H29 N O7 |
SMILES | C1(C)(C)O[C@H]2[C@H]([C@H]3[C@@](c4c(C(=O)N3Cc3ccccc3)cccc4)(C[C@H]2OC(=O)C)C(=O)OC)O1.C1(C)(C)O[C@@H]2[C@@H]([C@@H]3[C@](c4c(C(=O)N3Cc3ccccc3)cccc4)(C[C@@H]2OC(=O)C)C(=O)OC)O1 |
Title of publication | Synthesis of Some Members of the Hydroxylated Phenanthridone Subclass of the Amaryllidaceae Alkaloid Family |
Authors of publication | Albert Padwa; Hongjun Zhang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 2570 - 2582 |
a | 8.6668 ± 0.0003 Å |
b | 10.8196 ± 0.0003 Å |
c | 25.2951 ± 0.0008 Å |
α | 90° |
β | 97.941 ± 0.002° |
γ | 90° |
Cell volume | 2349.21 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0554 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 1.54178 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/4022841.html
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