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Information card for entry 7102115
Preview
Coordinates | 7102115.cif |
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Original paper (by DOI) | HTML |
Common name | 2,4,6-tris(4-(4-ethynylbenzonitrile)phenyl)-1,3,5-triazine |
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Formula | C54 H29 Cl N6 |
Calculated formula | C54 H29 Cl N6 |
Title of publication | A triazine-based three-directional rigid-rod tecton forms a novel 1D channel structure. |
Authors of publication | Ranganathan, Anupama; Heisen, Burkhard Clemens; Dix, Ina; Meyer, Franc |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 35 |
Pages of publication | 3637 - 3639 |
a | 23.491 ± 0.002 Å |
b | 6.4678 ± 0.0006 Å |
c | 30.258 ± 0.003 Å |
α | 90° |
β | 112.384 ± 0.003° |
γ | 90° |
Cell volume | 4250.7 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0578 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1217 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7102115.html
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