Crystallography Open Database

Information card for entry 4002036

4002035 << 4002036 >> 4002037

Preview

Coordinates	4002036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Br4
Calculated formula	C12 H6 Br4
SMILES	Brc1cc(c2cc(cc(c2)Br)Br)cc(c1)Br
Title of publication	Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area
Authors of publication	Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	15
Pages of publication	4589
a	16.691 ± 0.011 Å
b	7.314 ± 0.005 Å
c	11.161 ± 0.007 Å
α	90°
β	111.11 ± 0.006°
γ	90°
Cell volume	1271.1 ± 1.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
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	0.0352
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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