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Information card for entry 2010523
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| Coordinates | 2010523.cif |
|---|---|
| Structure factors | 2010523.hkl |
| Original IUCr paper | HTML |
| Formula | C23 H19 N3 O5 |
|---|---|
| Calculated formula | C23 H19 N3 O5 |
| SMILES | O=N(=O)c1ccc(N=Nc2cc(cc(OC)c2OC(=O)c2ccccc2)CC=C)cc1 |
| Title of publication | 5'-Allyl-2'-benzoyloxy-3'-methoxy-4-nitroazobenzene |
| Authors of publication | Işık, Şamil; Öztürk, Sema; Fun, Hoong-Kun; Ag̃ar, Erbil; Şaşmaz, Selami |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 95 - 96 |
| a | 7.7564 ± 0.0001 Å |
| b | 22.3441 ± 0.0005 Å |
| c | 12.5552 ± 0.0002 Å |
| α | 90° |
| β | 97.766 ± 0.001° |
| γ | 90° |
| Cell volume | 2155.98 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1922 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.1971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.