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Information card for entry 2238341
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| Coordinates | 2238341.cif |
|---|---|
| Structure factors | 2238341.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tris(4-formylphenyl)phosphane oxide tetrahydrofuran hemisolvate |
|---|---|
| Formula | C23 H19 O4.5 P |
| Calculated formula | C23 H19 O4.5 P |
| Title of publication | Tris(4-formylphenyl)phosphane oxide tetrahydrofuran hemisolvate |
| Authors of publication | Kakoullis, Jr, James; Fronczek, Frank R.; Maverick, Andrew W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1362 - o1363 |
| a | 21.371 ± 0.003 Å |
| b | 13.474 ± 0.002 Å |
| c | 13.436 ± 0.002 Å |
| α | 90° |
| β | 99.018 ± 0.009° |
| γ | 90° |
| Cell volume | 3821.1 ± 1 Å3 |
| Cell temperature | 110 ± 0.5 K |
| Ambient diffraction temperature | 110 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238341.cif 2238341.hkl |
| 181305 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238341.cif 2238341.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238341.cif 2238341.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238341.cif 2238341.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238341.cif 2238341.hkl |
| 88182 | 2013-09-04 | cif/ Adding structures of 2238341 via cif-deposit CGI script. |
2238341.cif |
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