Crystallography Open Database

Information card for entry 1564902

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Coordinates	1564902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 O8 S4
Calculated formula	C34 H20 O8 S4
SMILES	C(=O)(c1ccc(cc1)C1=C(c2ccc(C(=O)O)cc2)SC(S1)=C1SC(=C(S1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)O
Title of publication	Coordination-Bond-Directed Synthesis of Hydrogen-bonded Organic Frameworks from Metal–Organic Frameworks as Templates
Authors of publication	Su, Jian; Yuan, Shuai; Cheng, Yi-Xun; Yang, Zhi-Mei; Zuo, Jing-Lin
Journal of publication	Chemical Science
Year of publication	2021
a	20.495 ± 0.01 Å
b	34.798 ± 0.016 Å
c	8.801 ± 0.005 Å
α	90°
β	102.997 ± 0.013°
γ	90°
Cell volume	6116 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1327
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.2039
Weighted residual factors for all reflections included in the refinement	0.2313
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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