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Information card for entry 2240253
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| Coordinates | 2240253.cif |
|---|---|
| Structure factors | 2240253.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-(Diphenylphosphanyl)phenyl 4-(hydroxymethyl)benzoate |
|---|---|
| Formula | C26 H21 O3 P |
| Calculated formula | C26 H21 O3 P |
| Title of publication | Crystal structure of 2-(diphenylphosphanyl)phenyl 4-(hydroxymethyl)benzoate |
| Authors of publication | Mamat, Constantin; Flemming, Anke; Köckerling, Martin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1288 - o1289 |
| a | 9.8197 ± 0.0003 Å |
| b | 10.6503 ± 0.0003 Å |
| c | 11.6744 ± 0.0003 Å |
| α | 74.245 ± 0.001° |
| β | 80.428 ± 0.001° |
| γ | 66.493 ± 0.001° |
| Cell volume | 1075.23 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240253.cif 2240253.hkl |
| 181902 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240253.cif 2240253.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240253.cif 2240253.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240253.cif 2240253.hkl |
| 127944 | 2014-11-28 | cif/ hkl/ Adding structures of 2240253 via cif-deposit CGI script. |
2240253.cif 2240253.hkl |
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Users of the data should acknowledge the original authors of the
structural data.