Crystallography Open Database

Information card for entry 7232242

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Coordinates	7232242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H21 N9 O8 S
Calculated formula	C33 H21 N9 O8 S
Title of publication	Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption
Authors of publication	Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	11
Pages of publication	1742
a	11.9851 ± 0.0017 Å
b	12.2632 ± 0.0017 Å
c	13.7369 ± 0.0019 Å
α	94.016 ± 0.002°
β	112.728 ± 0.002°
γ	103.896 ± 0.002°
Cell volume	1777.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.2548
Weighted residual factors for all reflections included in the refinement	0.2729
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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