Crystallography Open Database

Information card for entry 2210128

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Structure parameters

Chemical name	1-(2,2-dibromo-vinyl)-3,5-dimethoxy-benzene
Formula	C10 H10 Br2 O2
Calculated formula	C10 H10 Br2 O2
SMILES	BrC(=Cc1cc(OC)cc(OC)c1)Br
Title of publication	1-(2,2-Dibromovinyl)-3,5-dimethoxybenzene
Authors of publication	Chang-Hua Hua; Yu-Ping Wei; Ye-Fei Nan; Xiao-Xiao Li; Liang-Dong Sun
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	9
Pages of publication	o3742 - o3743
a	4.129 ± 0.002 Å
b	11.192 ± 0.006 Å
c	25.732 ± 0.015 Å
α	90°
β	92.274 ± 0.01°
γ	90°
Cell volume	1188.2 ± 1.1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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