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Information card for entry 2231179
Preview
| Coordinates | 2231179.cif |
|---|---|
| Structure factors | 2231179.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 2,2-Diphenylacetamide |
|---|---|
| Formula | C14 H13 N O |
| Calculated formula | C14 H13 N O |
| SMILES | O=C(N)C(c1ccccc1)c1ccccc1 |
| Title of publication | 2,2-Diphenylacetamide |
| Authors of publication | Jasinski, Jerry P.; Golen, James A.; Siddegowda, M. S.; Yathirajan, H. S.; Swamy, M. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o1992 - o1993 |
| a | 5.1687 ± 0.0003 Å |
| b | 28.5511 ± 0.0013 Å |
| c | 7.8006 ± 0.0004 Å |
| α | 90° |
| β | 98.152 ± 0.005° |
| γ | 90° |
| Cell volume | 1139.52 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2231179.cif 2231179.hkl |
| 201979 | 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. |
2231179.cif 2231179.hkl |
| 181233 | 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 2/23/11. |
2231179.cif 2231179.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. |
2231179.cif 2231179.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231179.cif 2231179.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. | 2231179.cif 2231179.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231179.cif 2231179.hkl |
| 27087 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231179 via cif-deposit CGI script. |
2231179.cif |
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Users of the data should acknowledge the original authors of the
structural data.