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Information card for entry 2239138
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| Coordinates | 2239138.cif |
|---|---|
| Structure factors | 2239138.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Bis(diphenylmethyl)benzene-1,4-diamine |
|---|---|
| Formula | C32 H28 N2 |
| Calculated formula | C32 H28 N2 |
| SMILES | c1ccc(cc1)C(c1ccccc1)Nc1ccc(cc1)NC(c1ccccc1)c1ccccc1 |
| Title of publication | <i>N</i>,<i>N</i>'-Bis(diphenylmethyl)benzene-1,4-diamine |
| Authors of publication | Al-Fahdawi, Aeed S.; Al-Kafajy, Hussain A.; Al-Jeboori, Mohamad J.; Coles, Simon J.; Wilson, Claire; Potgieter, Herman |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o66 |
| a | 14.784 ± 0.002 Å |
| b | 5.5853 ± 0.0008 Å |
| c | 14.896 ± 0.002 Å |
| α | 90° |
| β | 107.914 ± 0.008° |
| γ | 90° |
| Cell volume | 1170.4 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1678 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.2078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239138.cif 2239138.hkl |
| 181310 | 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 2/23/91. |
2239138.cif 2239138.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. |
2239138.cif 2239138.hkl |
| 105027 | 2014-03-11 | cif/ hkl/ Adding structures of 2239138 via cif-deposit CGI script. |
2239138.cif 2239138.hkl |
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