Crystallography Open Database

Information card for entry 4029389

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Structure parameters

Formula	C32 H24 F6 O2
Calculated formula	C32 H24 F6 O2
SMILES	c12c(cc(cc1)OC)[C@@H](c1ccc(cc1)OC)[C@@H](C(=C2)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F.c12c(cc(cc1)OC)[C@H](c1ccc(cc1)OC)[C@H](C(=C2)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Title of publication	Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.
Authors of publication	Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	10
Pages of publication	4528 - 4543
a	16.1001 ± 0.0017 Å
b	19.841 ± 0.002 Å
c	17.6455 ± 0.0019 Å
α	90°
β	115.919 ± 0.002°
γ	90°
Cell volume	5069.7 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1681
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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