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Information card for entry 7230332
Preview
| Coordinates | 7230332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5Br3SAP-2OHBA |
|---|---|
| Chemical name | 4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/2hydroxybenzoic acid |
| Formula | C19 H15 Br N2 O4 |
| Calculated formula | C19 H15 Br N2 O4 |
| Title of publication | Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives |
| Authors of publication | Sugiyama, Haruki; Uekusa, Hidehiro |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 15 |
| Pages of publication | 2144 |
| a | 3.8264 ± 0.0001 Å |
| b | 20.7111 ± 0.0007 Å |
| c | 21.2587 ± 0.0008 Å |
| α | 90° |
| β | 93.89 ± 0.002° |
| γ | 90° |
| Cell volume | 1680.85 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0337 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229094 (current) | 2019-11-17 | cif/ Updating files of 7230315, 7230316, 7230317, 7230318, 7230319, 7230320, 7230321, 7230322, 7230323, 7230324, 7230325, 7230326, 7230327, 7230328, 7230329, 7230330, 7230331, 7230332, 7230333, 7230334, 7230335 Original log message: Adding full bibliography for 7230315--7230335.cif. |
7230332.cif |
| 207034 | 2018-03-21 | cif/ Adding structures of 7230315, 7230316, 7230317, 7230318, 7230319, 7230320, 7230321, 7230322, 7230323, 7230324, 7230325, 7230326, 7230327, 7230328, 7230329, 7230330, 7230331, 7230332, 7230333, 7230334, 7230335 via cif-deposit CGI script. |
7230332.cif |
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Users of the data should acknowledge the original authors of the
structural data.