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Information card for entry 7238453
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| Coordinates | 7238453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2D1B |
|---|---|
| Chemical name | 4-bromophenylboronate derivative of [5R,6S]-2-methyl-5,6-dihydroquinoline-5,6-diol |
| Formula | C16 H13 B Br N O2 |
| Calculated formula | C16 H13 B Br N O2 |
| Title of publication | Naphthalene-dioxygenase catalysed cis-dihydroxylation of bicyclic azaarenes |
| Authors of publication | Chopard, Claude; Bertho, Gildas; Prangé, Thierry |
| Journal of publication | RSC Adv. |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | 605 |
| a | 4.32 ± 0.004 Å |
| b | 10.637 ± 0.004 Å |
| c | 16.09 ± 0.004 Å |
| α | 90 ± 0.005° |
| β | 94.11 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 737.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244181 (current) | 2019-11-28 | cif/ Adding structures of 7238453, 7238454 via cif-deposit CGI script. |
7238453.cif |
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