Crystallography Open Database

Information card for entry 2244211

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Structure parameters

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 F_obs	Yes

Version history

Revision	Date	Message	Files
279110 (current)	2022-11-08	cif/ hkl/ Adding structures of 2244211 via cif-deposit CGI script.	2244211.cif 2244211.hkl