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Information card for entry 1544749
Preview
| Coordinates | 1544749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 Cl8 |
|---|---|
| Calculated formula | C10 Cl8 |
| Title of publication | A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene |
| Authors of publication | Sarkar, Sounak; Row, Tayur N. Guru |
| Journal of publication | IUCrJ |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| a | 9.7188 ± 0.0001 Å |
| b | 7.1598 ± 0.0001 Å |
| c | 18.2787 ± 0.0003 Å |
| α | 90° |
| β | 98.358 ± 0.001° |
| γ | 90° |
| Cell volume | 1258.41 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188987 (current) | 2016-12-07 | cif/ Adding structures of 1544749 via cif-deposit CGI script. |
1544749.cif |
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Users of the data should acknowledge the original authors of the
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