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Information card for entry 7150151
Preview
Coordinates | 7150151.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H21 Br O4 |
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Calculated formula | C16 H21 Br O4 |
SMILES | [C@]123CCC[C@@H]1[C@@H]([C@@]([C@@H]1CCC[C@H]21)(C(=O)O3)CBr)C(=O)OC.[C@@]123CCC[C@H]1[C@H]([C@]([C@H]1CCC[C@@H]21)(C(=O)O3)CBr)C(=O)OC |
Title of publication | A synthesis of (+/-)-sparteine. |
Authors of publication | Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2005 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | 1557 - 1567 |
a | 9.3004 ± 0.0005 Å |
b | 14.8301 ± 0.0009 Å |
c | 11.6244 ± 0.0004 Å |
α | 90° |
β | 108.528 ± 0.003° |
γ | 90° |
Cell volume | 1520.2 ± 0.14 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0637 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1163 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7150151.html
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Users of the data should acknowledge the original authors of the
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