Crystallography Open Database

Information card for entry 4002039

4002038 << 4002039 >> 4002040

Preview

Coordinates	4002039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 I4 O4
Calculated formula	C18 H18 I4 O4
SMILES	Ic1c(c(I)c(OC)c(c1OC)c1c(OC)c(I)c(c(I)c1OC)C)C
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	12.997 ± 0.006 Å
b	13.035 ± 0.006 Å
c	13.301 ± 0.006 Å
α	90°
β	91.472 ± 0.005°
γ	90°
Cell volume	2252.7 ± 1.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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