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Information card for entry 7203862
Preview
| Coordinates | 7203862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-bromo-3-diphenylmethylene-2,3-dihydro-1,4-naphthoquinone |
|---|---|
| Formula | C23 H15 Br O2 |
| Calculated formula | C23 H15 Br O2 |
| Title of publication | Kinetic study of thermolysis of diarylhomonaphthoquinones. Endo/exo substituent and solvent effects |
| Authors of publication | Oshima, Takumi; Tamada, Kazushi; Tamura, Hatsue; Nagai, Toshikazu |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
| Year of publication | 2000 |
| Journal issue | 1 |
| Pages of publication | 135 |
| a | 18.062 ± 0.004 Å |
| b | 19.795 ± 0.009 Å |
| c | 9.931 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3550.7 ± 1.9 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.26 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295880 (current) | 2024-11-12 | Corrected misspelt versions of the _atom_sites_solution_hydrogens, _atom_sites_solution_primary and _atom_sites_solution_secodnary data names in entries 7115189, 7203862, 7203877, 7203912, 7203913, 7204243, 7204290, 7204292, 7238066, 7238067, 7238072, 7238073, 7238074. |
7203862.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7203862.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203862.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203862.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7203862.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203862.cif |
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Users of the data should acknowledge the original authors of the
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