Crystallography Open Database

Information card for entry 2005642

2005641 << 2005642 >> 2005643

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Coordinates	2005642.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H7 F4 N O
Calculated formula	C10 H7 F4 N O
SMILES	COC1=CC(F)(F)c2c(C1(F)F)cccn2
Title of publication	5,5,8,8-Tetrafluoro-6-methoxy-5,8-dihydroquinoline
Authors of publication	Kato, K.; Morikawa, H.; Kimoto, H.; Momota, K.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	11
Pages of publication	2836 - 2837
a	4.77 ± 0.001 Å
b	11.725 ± 0.002 Å
c	8.9911 ± 0.0008 Å
α	90°
β	99.64 ± 0.01°
γ	90°
Cell volume	495.76 ± 0.14 Å³
Cell temperature	296 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21 1
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.036
Goodness-of-fit parameter for significantly intense reflections	1.41
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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