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Information card for entry 2021744
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| Coordinates | 2021744.cif |
|---|---|
| Structure factors | 2021744.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triphenylmethanol |
|---|---|
| Formula | C19 H16 O |
| Calculated formula | C19 H16.0002 O |
| Title of publication | Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers |
| Authors of publication | Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 9 |
| a | 19.1399 ± 0.0005 Å |
| b | 19.1399 ± 0.0005 Å |
| c | 26.7399 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8483.4 ± 0.4 Å3 |
| Cell temperature | 153 ± 1 K |
| Ambient diffraction temperature | 153 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1069 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1364 |
| Weighted residual factors for all reflections included in the refinement | 0.1673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.56083 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217540 (current) | 2019-08-15 | cif/ hkl/ Adding structures of 2021744, 2021745 via cif-deposit CGI script. |
2021744.cif 2021744.hkl |
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