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Information card for entry 4063420
Preview
| Coordinates | 4063420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37.5 H20.5 B Cl1.5 F15 N O6 P W |
|---|---|
| Calculated formula | C37.5 H20.5 B Cl1.5 F15 N O6 P W |
| Title of publication | Serendipitous Discovery of a Phosphirene–Phosphindole Rearrangement |
| Authors of publication | Panichakul, Duanghathai; Mathey, François |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 2 |
| Pages of publication | 348 - 351 |
| a | 11.2518 ± 0.0005 Å |
| b | 11.4277 ± 0.0005 Å |
| c | 16.4537 ± 0.0008 Å |
| α | 77.6 ± 0.002° |
| β | 78.274 ± 0.002° |
| γ | 72.811 ± 0.002° |
| Cell volume | 1951.73 ± 0.16 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063420.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4063420.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063420.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063420.cif |
| 19021 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4063420 via cif-deposit CGI script. |
4063420.cif |
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Users of the data should acknowledge the original authors of the
structural data.