Crystallography Open Database

Information card for entry 4116807

Preview

Coordinates	4116807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 F4 I2 N2 O6
Calculated formula	C20 H36 F4.996 I2 N2 O6
Title of publication	Perfluorocarbon-Hydrocarbon Self-Assembling. 1D Infinite Chain Formation Driven by Nitrogen...Iodine Interactions
Authors of publication	Vincenzo Amico; Stefano Valdo Meille; Eleonora Corradi; Maria Teresa Messina; Giuseppe Resnati
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	8261 - 8262
a	15.917 ± 0.002 Å
b	23.778 ± 0.002 Å
c	8.714 ± 0.001 Å
α	90°
β	123.17 ± 0.01°
γ	90°
Cell volume	2760.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1953
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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