Crystallography Open Database

Information card for entry 4124207

Preview

Coordinates	4124207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 N20
Calculated formula	C38 H32 N20
SMILES	c1(ccc(cc1)c1nc(N)nc(N)n1)C(=C(\c1ccc(cc1)c1nc(N)nc(N)n1)c1ccc(cc1)c1nc(N)nc(N)n1)\c1ccc(cc1)c1nc(N)nc(N)n1
Title of publication	A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation.
Authors of publication	Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	31
Pages of publication	9963 - 9970
a	14.3476 ± 0.0019 Å
b	17.8692 ± 0.0021 Å
c	12.2628 ± 0.002 Å
α	90°
β	121.697 ± 0.009°
γ	90°
Cell volume	2675 ± 0.7 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
RFsqd	0.10645
Goodness-of-fit parameter for all reflections	1.76
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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