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Information card for entry 2237636
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| Coordinates | 2237636.cif |
|---|---|
| Structure factors | 2237636.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromen-2-yl]-<i>N</i>,<i>N</i>-dimethylmethanimidamide |
|---|---|
| Formula | C24 H20 F N3 O2 |
| Calculated formula | C24 H20 F N3 O2 |
| SMILES | Fc1ccc(C2c3c(OC(=C2C#N)/N=C/N(C)C)c2ccccc2c(OC)c3)cc1 |
| Title of publication | <i>N</i>'-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromen-2-yl]-<i>N</i>,<i>N</i>-dimethylmethanimidamide |
| Authors of publication | Al-dies, Al-anood M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | o482 - o483 |
| a | 8.8438 ± 0.0008 Å |
| b | 11.0887 ± 0.0012 Å |
| c | 11.8001 ± 0.0013 Å |
| α | 66.054 ± 0.01° |
| β | 83.684 ± 0.008° |
| γ | 75.946 ± 0.009° |
| Cell volume | 1025.8 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1047 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181298 (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 2/23/76. |
2237636.cif 2237636.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. |
2237636.cif 2237636.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237636.cif 2237636.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237636.cif 2237636.hkl |
| 85376 | 2013-05-07 | cif/ Adding structures of 2237636 via cif-deposit CGI script. |
2237636.cif |
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Users of the data should acknowledge the original authors of the
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