Crystallography Open Database

Information card for entry 2230382

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Structure parameters

Chemical name	2-(4-Bromophenyl)-2-oxoethyl 4-methoxybenzoate
Formula	C16 H13 Br O4
Calculated formula	C16 H13 Br O4
SMILES	Brc1ccc(cc1)C(=O)COC(=O)c1ccc(OC)cc1
Title of publication	2-(4-Bromophenyl)-2-oxoethyl 4-methoxybenzoate
Authors of publication	Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	o1529
a	7.97 ± 0.0005 Å
b	7.9852 ± 0.0005 Å
c	11.3185 ± 0.0007 Å
α	86.536 ± 0.001°
β	83.205 ± 0.001°
γ	89.633 ± 0.001°
Cell volume	713.97 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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