Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231891
Preview
| Coordinates | 2231891.cif |
|---|---|
| Structure factors | 2231891.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2,2-bis(2,4-dinitrophenyl)ethanoate |
|---|---|
| Formula | C15 H10 N4 O10 |
| Calculated formula | C15 H10 N4 O10 |
| Title of publication | Methyl 2,2-bis(2,4-dinitrophenyl)ethanoate |
| Authors of publication | Kalaivani, D.; Malarvizhi, R.; Nethaji, M.; Rajeswari, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2720 |
| a | 9.812 ± 0.005 Å |
| b | 10.974 ± 0.006 Å |
| c | 16.025 ± 0.009 Å |
| α | 90° |
| β | 91.589 ± 0.01° |
| γ | 90° |
| Cell volume | 1724.9 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1327 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.2373 |
| Weighted residual factors for all reflections included in the refinement | 0.2928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181240 (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 2/23/18. |
2231891.cif 2231891.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. |
2231891.cif 2231891.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231891.cif 2231891.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. | 2231891.cif 2231891.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231891.cif 2231891.hkl |
| 29148 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231891 via cif-deposit CGI script. |
2231891.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.