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Information card for entry 2239433
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| Coordinates | 2239433.cif |
|---|---|
| Structure factors | 2239433.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
|---|---|
| Formula | C30 H24 N4 |
| Calculated formula | C30 H24 N4 |
| SMILES | c1ccc(cc1)NC1=C/C(=N\c2ccccc2)C(=C/C1=N\c1ccccc1)Nc1ccccc1 |
| Title of publication | <i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
| Authors of publication | Ohno, Keiji; Maruyama, Haruki; Fujihara, Takashi; Nagasawa, Akira |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o303 - o304 |
| a | 8.8858 ± 0.0012 Å |
| b | 10.054 ± 0.0013 Å |
| c | 13.2256 ± 0.0018 Å |
| α | 93.343 ± 0.003° |
| β | 106.76 ± 0.003° |
| γ | 98.53 ± 0.003° |
| Cell volume | 1112.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1084 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1488 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239433.cif 2239433.hkl |
| 181313 | 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 2/23/94. |
2239433.cif 2239433.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. |
2239433.cif 2239433.hkl |
| 110716 | 2014-04-19 | cif/ hkl/ Adding structures of 2239433 via cif-deposit CGI script. |
2239433.cif 2239433.hkl |
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