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Information card for entry 2244211
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| Coordinates | 2244211.cif |
|---|---|
| Structure factors | 2244211.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 4-[(4-methylbenzyl)oxy]benzoate |
|---|---|
| Formula | C17 H18 O3 |
| Calculated formula | C17 H18 O3 |
| Title of publication | Crystal structure of ethyl 4-[(4-methylbenzyl)oxy]benzoate |
| Authors of publication | Banna, Md. Hasan Al; Ansary, Md. Rezaul Haque; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 10 |
| Pages of publication | 1077 - 1080 |
| a | 16.1906 ± 0.001 Å |
| b | 7.5752 ± 0.0004 Å |
| c | 17.7591 ± 0.0009 Å |
| α | 90° |
| β | 95.36 ± 0.007° |
| γ | 90° |
| Cell volume | 2168.6 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0804 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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