Crystallography Open Database

Information card for entry 4032317

Preview

Coordinates	4032317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Br Cl F4
Calculated formula	C32 H20 Br2 Cl2 F8
Title of publication	Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.
Authors of publication	Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	3
Pages of publication	1618 - 1631
a	5.3972 ± 0.0004 Å
b	9.9775 ± 0.0007 Å
c	14.1887 ± 0.001 Å
α	97.739 ± 0.007°
β	93.504 ± 0.007°
γ	99.049 ± 0.007°
Cell volume	745.04 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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