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Information card for entry 7233500
Preview
| Coordinates | 7233500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H46 N4 O3 |
|---|---|
| Calculated formula | C32 H46 N4 O3 |
| SMILES | c1(c2ccc(cc2)OC(=O)c2ccc(cc2)OCCCCCCCCC)nn(CCCCCCCCC)nn1 |
| Title of publication | Synthesis and characterization of some novel tetrazole liquid crystals |
| Authors of publication | Muhammad Tariq; Shahid Hameed; Ivan H. Bechtold; Adailton J. Bortoluzzi; Aloir A. Merlo |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 5583 - 5593 |
| a | 6.1964 ± 0.0004 Å |
| b | 7.3745 ± 0.0004 Å |
| c | 33.1004 ± 0.0018 Å |
| α | 93.63 ± 0.003° |
| β | 94.782 ± 0.003° |
| γ | 95.576 ± 0.003° |
| Cell volume | 1496.24 ± 0.15 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.172 |
| Weighted residual factors for all reflections included in the refinement | 0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217770 (current) | 2019-08-28 | cif/ Adding structures of 7233500 via cif-deposit CGI script. |
7233500.cif |
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Users of the data should acknowledge the original authors of the
structural data.