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Information card for entry 4069568
Preview
| Coordinates | 4069568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | compound4c |
|---|---|
| Formula | C48 H78 N2 P2 Si7 |
| Calculated formula | C48 H78 N2 P2 Si7 |
| SMILES | P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C12c3ccccc3C(c3ccccc13)[C@H]([C@@H]2C#N)C#N.P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C12c3ccccc3C(c3ccccc13)[C@@H]([C@H]2C#N)C#N |
| Title of publication | [4+2] Cycloaddition of 9-Anthryldiphosphene with Electron-Deficient Olefins: Transformation of a Diaryldiphosphene to Alkylaryldiphosphenes |
| Authors of publication | Tsurusaki, Akihiro; Sasamori, Takahiro; Tokitoh, Norihiro |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 13 |
| Pages of publication | 3604 |
| a | 9.0157 ± 0.0004 Å |
| b | 14.246 ± 0.0007 Å |
| c | 23.6907 ± 0.0012 Å |
| α | 73.902 ± 0.002° |
| β | 82.098 ± 0.003° |
| γ | 71.202 ± 0.004° |
| Cell volume | 2763.7 ± 0.2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 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 all reflections | 0.1295 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4069568.cif |
| 178584 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95. |
4069568.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069568.cif |
| 40341 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069565, 4069566, 4069567, 4069568, 4069569 via cif-deposit CGI script. |
4069568.cif |
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Users of the data should acknowledge the original authors of the
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