Crystallography Open Database

Information card for entry 2100865

Preview

Coordinates	2100865.cif
Original IUCr paper	HTML

Structure parameters

Formula	C7 H5 F O2
Calculated formula	C7 H5 F O2
SMILES	OC(=O)c1ccc(cc1)F
Title of publication	Electron-density distribution in fluorobenzene derivatives
Authors of publication	Kubota, M.; Ohba, S.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	6
Pages of publication	849 - 854
a	26.733 ± 0.005 Å
b	6.2947 ± 0.0009 Å
c	3.7257 ± 0.0006 Å
α	90°
β	94.88 ± 0.02°
γ	90°
Cell volume	624.67 ± 0.18 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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