Crystallography Open Database

Information card for entry 7240241

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Structure parameters

Formula	C51 H44 N2 O Si
Calculated formula	C51 H44 N2 O Si
SMILES	[Si](Oc1c(c2n(c3ccc(c4ccc(C=C)cc4)cc3)c(c(n2)c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)(C(C)(C)C)c1ccccc1
Title of publication	Synthesis and characterization of poly(tetraphenylimidazole)s and their application in the detection of fluoride ions
Authors of publication	Aradhyula, Basava Punna Rao; Ranga Naidu Chinta, Ramu V.; Dhanunjayarao, Kunchala; Venkatasubbaiah, Krishnan
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	22
Pages of publication	13149 - 13154
a	14.7258 ± 0.0002 Å
b	17.0253 ± 0.0002 Å
c	17.5571 ± 0.0003 Å
α	90°
β	105.655 ± 0.0018°
γ	90°
Cell volume	4238.48 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0601
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240241.cif
257974	2020-10-06	cif/ Updating files of 7240241 Original log message: Adding full bibliography for 7240241.cif.	7240241.cif
249958	2020-04-02	cif/ Adding structures of 7240241 via cif-deposit CGI script.	7240241.cif