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Information card for entry 2240751
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| Coordinates | 2240751.cif |
|---|---|
| Structure factors | 2240751.hkl |
| Original IUCr paper | HTML |
| Chemical name | Benzyltriphenylphosphonium chloride monohydrate |
|---|---|
| Formula | C25 H24 Cl O P |
| Calculated formula | C25 H24 Cl O P |
| SMILES | [Cl-].[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O |
| Title of publication | Crystal structure of benzyltriphenylphosphonium chloride monohydrate |
| Authors of publication | Ahmad, Jimmy; Abdul Halim, Siti Nadiah; How, Fiona N.-F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o410 - o411 |
| a | 9.7368 ± 0.0008 Å |
| b | 19.7474 ± 0.0017 Å |
| c | 11.417 ± 0.0009 Å |
| α | 90° |
| β | 109.728 ± 0.009° |
| γ | 90° |
| Cell volume | 2066.4 ± 0.3 Å3 |
| Cell temperature | 100.1 ± 0.6 K |
| Ambient diffraction temperature | 100.1 ± 0.6 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 | 0.0953 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1645 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240751.cif 2240751.hkl |
| 137012 | 2015-05-20 | cif/ hkl/ Adding structures of 2240751 via cif-deposit CGI script. |
2240751.cif 2240751.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.