Crystallography Open Database

Information card for entry 7052470

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Coordinates	7052470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 F N O4
Calculated formula	C12 H6 F N O4
Title of publication	Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions
Authors of publication	Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda
Journal of publication	New Journal of Chemistry
Year of publication	2001
Journal volume	25
Journal issue	3
Pages of publication	379
a	10.6409 ± 0.0015 Å
b	5.9763 ± 0.0007 Å
c	16.382 ± 0.002 Å
α	90°
β	102.504 ± 0.017°
γ	90°
Cell volume	1017.1 ± 0.2 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	0.051
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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