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Information card for entry 7024388
Preview
| Coordinates | 7024388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H20 O4 |
|---|---|
| Calculated formula | C26 H20 O4 |
| SMILES | c1(ccccc1)OC(=C(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1 |
| Title of publication | Syntheses and characterization of bis(trifluoromethyl)phosphino naphthalenes and acenaphthenes. |
| Authors of publication | Wawrzyniak, Piotr; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 1 |
| Pages of publication | 85 - 92 |
| a | 6.1437 ± 0.0015 Å |
| b | 8.3382 ± 0.0018 Å |
| c | 9.72 ± 0.003 Å |
| α | 86.224 ± 0.015° |
| β | 88.075 ± 0.013° |
| γ | 80.615 ± 0.015° |
| Cell volume | 490.1 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0776 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024388.cif |
| 179948 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43. |
7024388.cif |
| 92465 | 2014-01-12 | cif/ Adding structures of 7024387, 7024388, 7024389, 7024390 via cif-deposit CGI script. |
7024388.cif |
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Users of the data should acknowledge the original authors of the
structural data.