Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231215
Preview
| Coordinates | 2231215.cif |
|---|---|
| Structure factors | 2231215.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | <i>p</i>-Tolyl bis(cyclohexylamido)phosphinate |
|---|---|
| Chemical name | 1-{[bis(phenylamino)phosphoryl]oxy}-4-methylbenzene |
| Formula | C19 H31 N2 O2 P |
| Calculated formula | C19 H31 N2 O2 P |
| SMILES | P(=O)(Oc1ccc(cc1)C)(NC1CCCCC1)NC1CCCCC1 |
| Title of publication | <i>p</i>-Tolyl bis(cyclohexylamido)phosphinate |
| Authors of publication | Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Taghizadeh, Afsaneh; Ghoreishi, Farnaz; Vahdani, Banafsheh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o2167 |
| a | 9.131 ± 0.005 Å |
| b | 19.333 ± 0.005 Å |
| c | 11.291 ± 0.005 Å |
| α | 90° |
| β | 99.247 ± 0.005° |
| γ | 90° |
| Cell volume | 1967.3 ± 1.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1755 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.76 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2231215.cif 2231215.hkl |
| 181234 | 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 2/23/12. |
2231215.cif 2231215.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. |
2231215.cif 2231215.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231215.cif 2231215.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231215.cif 2231215.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231215.cif 2231215.hkl |
| 27128 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231215 via cif-deposit CGI script. |
2231215.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.