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Information card for entry 1517158
Preview
| Coordinates | 1517158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H29 O2.5 P2 |
|---|---|
| Calculated formula | C33 H29 O2.5 P2 |
| Title of publication | Double phosphinylation of propargylic alcohols: a novel synthetic route to 1,2-bis(diphenylphosphino)ethane derivatives. |
| Authors of publication | Milton, Marilyn Daisy; Onodera, Gen; Nishibayashi, Yoshiaki; Uemura, Sakae |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 22 |
| Pages of publication | 3993 - 3995 |
| a | 32.114 ± 0.002 Å |
| b | 8.7757 ± 0.0003 Å |
| c | 22.7056 ± 0.0007 Å |
| α | 90° |
| β | 118.4 ± 0.001° |
| γ | 90° |
| Cell volume | 5628.8 ± 0.4 Å3 |
| Cell temperature | 296.1 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 significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.439 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517158.cif |
| 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. |
1517158.cif |
| 120426 | 2014-07-15 | cif/ Adding structures of 1517158 via cif-deposit CGI script. |
1517158.cif |
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Users of the data should acknowledge the original authors of the
structural data.