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Information card for entry 2019844
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| Coordinates | 2019844.cif |
|---|---|
| Structure factors | 2019844.hkl |
| Original IUCr paper | HTML |
| Common name | PPBD |
|---|---|
| Chemical name | <i>N</i>^1^-Phenyl-<i>N</i>^4^-[(<i>E</i>)-(pyren-1-yl)methylidene]benzene-1,4-diamine |
| Formula | C29 H20 N2 |
| Calculated formula | C29 H20 N2 |
| SMILES | N(=C\c1c2c3c(ccc4c3c(ccc4)cc2)cc1)/c1ccc(Nc2ccccc2)cc1 |
| Title of publication | Crystal structure ofN1-phenyl-N4-[(E)-(pyren-1-yl)methylidene]benzene-1,4-diamine |
| Authors of publication | Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 261 |
| a | 13.0433 ± 0.0006 Å |
| b | 12.27 ± 0.0005 Å |
| c | 13.4981 ± 0.0007 Å |
| α | 90° |
| β | 114.269 ± 0.002° |
| γ | 90° |
| Cell volume | 1969.34 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1123 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019844.cif 2019844.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019844.cif 2019844.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019844.cif 2019844.hkl |
| 131552 | 2015-02-08 | cif/ hkl/ Adding structures of 2019844 via cif-deposit CGI script. |
2019844.cif 2019844.hkl |
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Users of the data should acknowledge the original authors of the
structural data.