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Information card for entry 4108443
Preview
Coordinates | 4108443.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 Br N O3 |
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Calculated formula | C28 H36 Br N O3 |
SMILES | Brc1ccc(C(=O)O[C@H]([C@@H](N(C(=O)[C@](CC=C)(C)CC(C)(C)C)C)C)c2ccccc2)cc1 |
Title of publication | Stereocontrolled Alkylative Construction of Quaternary Carbon Centers |
Authors of publication | David A. Kummer; William J. Chain; Marvin R. Morales; Olga Quiroga; Andrew G. Myers |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13231 - 13233 |
a | 6.0539 ± 0.0018 Å |
b | 18.545 ± 0.006 Å |
c | 23.851 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2677.7 ± 1.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0934 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1239 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
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/4108443.html
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Users of the data should acknowledge the original authors of the
structural data.