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Information card for entry 2240331
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| Coordinates | 2240331.cif |
|---|---|
| Structure factors | 2240331.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate) |
|---|---|
| Formula | C28 H28 N2 O2 |
| Calculated formula | C28 H28 N2 O2 |
| SMILES | c1([O-])c(/C=[NH+]/CCCCCC/[NH+]=C/c2c([O-])ccc3ccccc23)c2ccccc2cc1 |
| Title of publication | 1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate) |
| Authors of publication | Ouari, Kamel; Bendia, Sabrina; Merzougui, Moufida; Bailly, Corinne |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o51 - o52 |
| a | 23.722 ± 0.001 Å |
| b | 8.8117 ± 0.0003 Å |
| c | 10.3903 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2171.9 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.133 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240331.cif 2240331.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240331.cif 2240331.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240331.cif 2240331.hkl |
| 128881 | 2014-12-21 | cif/ hkl/ Adding structures of 2240331 via cif-deposit CGI script. |
2240331.cif 2240331.hkl |
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Users of the data should acknowledge the original authors of the
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