Crystallography Open Database

Information card for entry 7230523

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Structure parameters

Formula	C9 H7 F O2
Calculated formula	C9 H7 F O2
Title of publication	Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe
Authors of publication	Chakraborty, Shaunak; Desiraju, Gautam R.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	20
Pages of publication	2793
a	3.789 ± 0.004 Å
b	6.337 ± 0.006 Å
c	15.846 ± 0.016 Å
α	84.53 ± 0.02°
β	85.15 ± 0.019°
γ	87.11 ± 0.03°
Cell volume	377 ± 0.7 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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