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Information card for entry 2239777
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| Coordinates | 2239777.cif |
|---|---|
| Structure factors | 2239777.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (2<i>E</i>)-2-Benzylidene-9-phenyl-3,4-dihydroacridin-1(2<i>H</i>)-one |
|---|---|
| Formula | C26 H19 N O |
| Calculated formula | C26 H19 N O |
| SMILES | c1cccc2c1c(c1c(CC/C(=C\c3ccccc3)C1=O)n2)c1ccccc1 |
| Title of publication | (2<i>E</i>)-2-Benzylidene-9-phenyl-3,4-dihydroacridin-1(2<i>H</i>)-one |
| Authors of publication | Vinuchakkaravarthy, T.; Sankaran, M.; Mohan, P. S.; Velmurugan, D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | o870 |
| a | 9.2222 ± 0.0003 Å |
| b | 10.7555 ± 0.0004 Å |
| c | 19.4962 ± 0.0005 Å |
| α | 90° |
| β | 95.503 ± 0.002° |
| γ | 90° |
| Cell volume | 1924.9 ± 0.11 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 | 0.0731 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2239777.cif 2239777.hkl |
| 181897 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239777.cif 2239777.hkl |
| 181316 | 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 2/23/97. |
2239777.cif 2239777.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. |
2239777.cif 2239777.hkl |
| 120515 | 2014-07-17 | cif/ hkl/ Adding structures of 2239777 via cif-deposit CGI script. |
2239777.cif 2239777.hkl |
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Users of the data should acknowledge the original authors of the
structural data.