Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071387
Preview
| Coordinates | 4071387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 Cl O3 P |
|---|---|
| Calculated formula | C10 H16 Cl O3 P |
| SMILES | P1(Cl)[C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C.P1(Cl)[C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C |
| Title of publication | General Routes to Alkyl Phosphatrioxaadamantane Ligands |
| Authors of publication | Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3216 |
| a | 9.656 ± 0.003 Å |
| b | 8.3144 ± 0.0018 Å |
| c | 15.116 ± 0.002 Å |
| α | 90° |
| β | 100.463 ± 0.012° |
| γ | 90° |
| Cell volume | 1193.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071387.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071387.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071387.cif |
| 43176 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071383, 4071384, 4071385, 4071386, 4071387, 4071388 via cif-deposit CGI script. |
4071387.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.