Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2244211
Preview
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 |
Revision | Date | Message | Files |
---|---|---|---|
279110 (current) | 2022-11-08 | cif/ hkl/ Adding structures of 2244211 via cif-deposit CGI script. |
2244211.cif 2244211.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.