Crystallography Open Database

Information card for entry 1513274

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Structure parameters

Formula	C26 H16 F2 N2
Calculated formula	C26 H16 F2 N2
SMILES	Fc1ccc(C2=Nc3c(cccc3)C(=Nc3c2cccc3)c2ccc(F)cc2)cc1
Title of publication	Synthesis of Diazocine-Containing Poly(arylene ether sulfone)s for Tailored Mechanical and Electrochemical Performance
Authors of publication	Suga, Takeo; Wi, Sungsool; Long, Timothy E.
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	5
Pages of publication	1526
a	18.09 ± 0.002 Å
b	20.368 ± 0.002 Å
c	16.6509 ± 0.0015 Å
α	90°
β	104.245 ± 0.011°
γ	90°
Cell volume	5946.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1203
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	0.869
Diffraction radiation probe	x-ray
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513274.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513274.cif
99195	2014-01-30	cif/ Adding structures of 1513274 via cif-deposit CGI script.	1513274.cif