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Information card for entry 4038043
Preview
Coordinates | 4038043.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H33 Br N O7 Si |
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Calculated formula | C25 H33 Br N O7 Si |
SMILES | Brc1ccc(cc1)C(=O)N[C@H]1CC2(O[C@H]1O[Si](CC)(CC)CC)[C@@H]1O[C@@H]1C(O)([C@@H]1O[C@H]21)CC(=O)C.Brc1ccc(cc1)C(=O)N[C@H]1[C@H](OC2(C1)[C@@H]1O[C@@H]1C(O)([C@@H]1O[C@H]21)CC(=O)C)O[Si](CC)(CC)CC |
Title of publication | Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1. |
Authors of publication | Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 11.1583 ± 0.0016 Å |
b | 25.873 ± 0.003 Å |
c | 20.17 ± 0.002 Å |
α | 90° |
β | 105.729 ± 0.013° |
γ | 90° |
Cell volume | 5605 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.2187 |
Residual factor for significantly intense reflections | 0.1066 |
Weighted residual factors for significantly intense reflections | 0.3096 |
Weighted residual factors for all reflections included in the refinement | 0.4058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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