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Information card for entry 7242764
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| Coordinates | 7242764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Anthraquinone |
|---|---|
| Chemical name | 9,10-Anthracenedione |
| Formula | C14 H8 O2 |
| Calculated formula | C14 H8 O2 |
| Title of publication | Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study |
| Authors of publication | Rather, Sumair A.; Saha, Binoy K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 34 |
| Pages of publication | 5768 - 5773 |
| a | 7.8876 ± 0.0007 Å |
| b | 3.9434 ± 0.0004 Å |
| c | 15.7578 ± 0.0019 Å |
| α | 90° |
| β | 102.624 ± 0.011° |
| γ | 90° |
| Cell volume | 478.28 ± 0.09 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 ± 0.02 K |
| Number of distinct elements | 3 |
| 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268688 (current) | 2021-09-06 | cif/ Updating files of 7242759, 7242760, 7242761, 7242762, 7242763, 7242764, 7242765, 7242766, 7242767, 7242768 Original log message: Adding full bibliography for 7242759--7242768.cif. |
7242764.cif |
| 265015 | 2021-05-07 | cif/ Adding structures of 7242759, 7242760, 7242761, 7242762, 7242763, 7242764, 7242765, 7242766, 7242767, 7242768 via cif-deposit CGI script. |
7242764.cif |
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Users of the data should acknowledge the original authors of the
structural data.