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Information card for entry 8106406
Preview
| Coordinates | 8106406.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H33 Cl3 N4 O4 |
|---|---|
| Calculated formula | C27 H33 Cl3 N4 O4 |
| Title of publication | The crystal structure of 2-(dimethoxymethyl)-4-(4-methylphenyl)-1H-imidazole—petroleum ether-chloroform (3/1), C27H33Cl3N4O4 |
| Authors of publication | Liu, Wan-li; Sui, Hong; She, Gai-mei; Quan, Hai-Yuan; She, Dong-Mei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 1079 - 1080 |
| a | 7.1343 ± 0.0004 Å |
| b | 22.493 ± 0.001 Å |
| c | 9.7835 ± 0.0004 Å |
| α | 90° |
| β | 106.876 ± 0.005° |
| γ | 90° |
| Cell volume | 1502.37 ± 0.13 Å3 |
| Cell temperature | 179.99 ± 0.1 K |
| Ambient diffraction temperature | 179.99 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0816 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1428 |
| Weighted residual factors for all reflections included in the refinement | 0.1517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279909 (current) | 2022-12-15 | cif/ Adding structures of 8106406 via cif-deposit CGI script. |
8106406.cif |
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Users of the data should acknowledge the original authors of the
structural data.