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Information card for entry 2240636
Preview
| Coordinates | 2240636.cif |
|---|---|
| Structure factors | 2240636.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1,1'-{(Dodecane-1,12-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate) |
|---|---|
| Formula | C34 H40 N2 O2 |
| Calculated formula | C34 H40 N2 O2 |
| SMILES | c1(ccc2ccccc2c1/C=[NH+]/CCCCCCCCCCCC/[NH+]=C/c1c(ccc2ccccc12)[O-])[O-] |
| Title of publication | Crystal structure of 1,1'-{(dodecane-1,12-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate) |
| Authors of publication | Ouari, Kamel; Merzougui, Moufida; Bendia, Sabrina; Bailly, Corinne |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o351 - o352 |
| a | 54.4 ± 0.005 Å |
| b | 4.7465 ± 0.0004 Å |
| c | 10.7022 ± 0.0009 Å |
| α | 90° |
| β | 96.318 ± 0.002° |
| γ | 90° |
| Cell volume | 2746.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240636.cif 2240636.hkl |
| 136428 | 2015-05-13 | cif/ hkl/ Adding structures of 2240636 via cif-deposit CGI script. |
2240636.cif 2240636.hkl |
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Users of the data should acknowledge the original authors of the
structural data.