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Information card for entry 1551796
Preview
| Coordinates | 1551796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 N2 O2 |
|---|---|
| Calculated formula | C28 H22 N2 O2 |
| SMILES | Oc1cc(c2nc(c(n2c2ccccc2)c2ccccc2)c2ccccc2)ccc1OC |
| Title of publication | Crystal Structure of (3-Hydroxy-4-methoxyphenyl)-(1,4,5-triphenyl)-1H-imidazole |
| Authors of publication | ABBASI, Alireza; MOHAMMADI ZIARANI, Ghodsi; BADIEI, Alireza; FARAHANI, Zahra |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 85 |
| a | 18.829 ± 0.0008 Å |
| b | 24.515 ± 0.002 Å |
| c | 9.6301 ± 0.0018 Å |
| α | 90° |
| β | 99.245 ± 0.007° |
| γ | 90° |
| Cell volume | 4387.4 ± 0.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1305 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216408 (current) | 2019-06-20 | cif/ Adding structures of 1551796 via cif-deposit CGI script. |
1551796.cif |
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Users of the data should acknowledge the original authors of the
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