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Information card for entry 7006419
Preview
| Coordinates | 7006419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H38 Br O P |
|---|---|
| Calculated formula | C24 H38 Br O P |
| SMILES | BrC(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(OC)C1CC1 |
| Title of publication | Structural and coordination properties of 1,2-bis(cyclopropyl)-3,4-bis(2,4,6-tri-tert-butylphenyl)-3,4-diphosphinidenecyclobutene prepared by dehydrogenative homocoupling of 3-cyclopropyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaallene. |
| Authors of publication | Ito, Shigekazu; Freytag, Matthias; Yoshifuji, Masaaki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 5 |
| Pages of publication | 710 - 713 |
| a | 9.9117 ± 0.0005 Å |
| b | 13.2871 ± 0.0005 Å |
| c | 9.7067 ± 0.0005 Å |
| α | 105.593 ± 0.002° |
| β | 96.44 ± 0.004° |
| γ | 90.888 ± 0.003° |
| Cell volume | 1222.14 ± 0.1 Å3 |
| Cell temperature | 133 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.311 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006419.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7006419.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006419.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006419.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7006419.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006419.cif |
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Users of the data should acknowledge the original authors of the
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