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Information card for entry 2232938
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| Coordinates | 2232938.cif |
|---|---|
| Structure factors | 2232938.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒naphthalene (2/1) |
|---|---|
| Formula | C42 H36 N8 |
| Calculated formula | C42 H36 N8 |
| SMILES | c1ccc2c(c1)cccc2.c1ccc(nc1)Nc1ccc(cc1)Nc1ccccn1.c1ccc(nc1)Nc1ccc(cc1)Nc1ccccn1 |
| Title of publication | <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒naphthalene (2/1) |
| Authors of publication | Wicher, Barbara; Gdaniec, Maria |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3300 |
| a | 9.2224 ± 0.0001 Å |
| b | 22.8371 ± 0.0002 Å |
| c | 8.876 ± 0.0001 Å |
| α | 90° |
| β | 117.936 ± 0.002° |
| γ | 90° |
| Cell volume | 1651.56 ± 0.04 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0372 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (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 2/23/29. |
2232938.cif 2232938.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. |
2232938.cif 2232938.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232938.cif 2232938.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232938.cif 2232938.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232938.cif 2232938.hkl |
| 31824 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232938 via cif-deposit CGI script. |
2232938.cif |
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Users of the data should acknowledge the original authors of the
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