Crystallography Open Database

Information card for entry 1543774

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Structure parameters

Formula	C40 H12 F20 O8
Calculated formula	C40 H12 F20 O8
SMILES	Fc1c(F)c(F)c(F)c(F)c1COC(=O)C(=C1C=CC(C=C1)=C(C(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(=O)OCc1c(F)c(F)c(F)c(F)c1F
Title of publication	Formation of Bundle Assemblies of Stereoregular Polymers in Thermal Solid-State Polymerization of 7,7,8,8-Tetrakis(aryloxycarbonyl)-p-quinodimethanes
Authors of publication	Itoh, Takahito; Morita, Erica; Takakura, Ryohei; Nakajima, Hiroto; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji
Journal of publication	Macromolecules
Year of publication	2016
Journal volume	49
Journal issue	13
Pages of publication	4802
a	34.9876 ± 0.0009 Å
b	5.52913 ± 0.00013 Å
c	18.7802 ± 0.0004 Å
α	90°
β	96.1833 ± 0.0014°
γ	90°
Cell volume	3611.91 ± 0.15 Å³
Cell temperature	93.1 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 significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543774.cif
184847	2016-08-05	cif/ Adding structures of 1543774 via cif-deposit CGI script.	1543774.cif