Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238384
Preview
| Coordinates | 2238384.cif |
|---|---|
| Structure factors | 2238384.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Diphenylphosphanyl-1-methyl-1<i>H</i>-benzimidazole |
|---|---|
| Formula | C20 H18 N2 P |
| Calculated formula | C20 H18 N2 P |
| SMILES | P(c1nc2c(n1C)cccc2)(c1ccccc1)c1ccccc1 |
| Title of publication | 2-Diphenylphosphanyl-1-methyl-1<i>H</i>-benzimidazole |
| Authors of publication | Jenkins, Darkus E.; Assefa, Zerihun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1364 |
| a | 9.574 ± 0.002 Å |
| b | 9.904 ± 0.003 Å |
| c | 10.513 ± 0.003 Å |
| α | 74.215 ± 0.007° |
| β | 67.172 ± 0.007° |
| γ | 70.346 ± 0.007° |
| Cell volume | 853.7 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238384.cif 2238384.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238384.cif 2238384.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238384.cif 2238384.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238384.cif 2238384.hkl |
| 88227 | 2013-09-04 | cif/ Adding structures of 2238384 via cif-deposit CGI script. |
2238384.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.