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Information card for entry 2232246
Preview
| Coordinates | 2232246.cif |
|---|---|
| Structure factors | 2232246.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1'-[<i>m</i>-Phenylenebis(nitrilomethanylylidene)]dinaphthalen-2-ol‒1,1'- [<i>m</i>-phenylenebis(iminomethanylylidene)]dinaphthalen-2(1<i>H</i>)-one (0.58/0.42) |
|---|---|
| Formula | C28 H20 N2 O2 |
| Calculated formula | C28 H20 N2 O2 |
| SMILES | Oc1ccc2c(c1C=Nc1cccc(c1)N=Cc1c(O)ccc3c1cccc3)cccc2 |
| Title of publication | 1,1'-[<i>m</i>-Phenylenebis(nitrilomethanylylidene)]dinaphthalen-2-ol‒1,1'-[<i>m</i>-phenylenebis(iminomethanylylidene)]dinaphthalen-2(1<i>H</i>)-one (0.58/0.42) |
| Authors of publication | Blagus, Anita; Kaitner, Branko |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2908 - o2909 |
| a | 5.4292 ± 0.0009 Å |
| b | 26.496 ± 0.003 Å |
| c | 14.818 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2131.6 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232246.cif 2232246.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. |
2232246.cif 2232246.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232246.cif 2232246.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. | 2232246.cif 2232246.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232246.cif 2232246.hkl |
| 30898 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232246 via cif-deposit CGI script. |
2232246.cif |
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Users of the data should acknowledge the original authors of the
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