Crystallography Open Database

Information card for entry 4025918

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Coordinates	4025918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 F6 N12 O5
Calculated formula	C20 H18 F6 N12 O5
Title of publication	Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines
Authors of publication	Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	1333 - 1341
a	17.419 ± 0.0017 Å
b	7.4383 ± 0.0007 Å
c	19.102 ± 0.002 Å
α	90°
β	107.558 ± 0.005°
γ	90°
Cell volume	2359.7 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0739
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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