Crystallography Open Database

Information card for entry 8105981

Preview

Coordinates	8105981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Br2 O2
Calculated formula	C14 H12 Br2 O2
Title of publication	The crystal structure of 1,2-bis(3-bromophenoxy) ethane, C14H12Br2O2
Authors of publication	Teng, Ming-Gang; Qin, Yu-Mei; Long, Dan; Cao, Jian-Xin; Zhao, Chun-Shen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	6
Pages of publication	1211 - 1212
a	27.323 ± 0.003 Å
b	5.8516 ± 0.0006 Å
c	8.9145 ± 0.001 Å
α	90°
β	103.596 ± 0.003°
γ	90°
Cell volume	1385.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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