Crystallography Open Database

Information card for entry 7226388

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Structure parameters

Formula	C20 H22 Cl N O5 Si
Calculated formula	C20 H22 Cl N O5 Si
SMILES	Clc1cccc2C(=O)c3c(NCCC[Si](OC)(OC)OC)cccc3C(=O)c12
Title of publication	Inorganic-organic hybrid sorbent for aromatic desulfurization of hydro-carbons: Regenerative adsorption based on charge-transfer complex
Authors of publication	Armaghan, Mahsa; Amini, Mostafa M.; Khavasi, Hamid Reza; Zhang, Wen-Hua; Weng, Ng Seik
Journal of publication	RSC Adv.
Year of publication	2016
a	7.145 ± 0.005 Å
b	35.461 ± 0.016 Å
c	10.506 ± 0.007 Å
α	90°
β	133 ± 0.11°
γ	90°
Cell volume	1947 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2226
Residual factor for significantly intense reflections	0.1825
Weighted residual factors for significantly intense reflections	0.4127
Weighted residual factors for all reflections included in the refinement	0.4339
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226388.cif
186062	2016-08-27	cif/ Adding structures of 7226388, 7226389 via cif-deposit CGI script.	7226388.cif