Crystallography Open Database

Information card for entry 4110603

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Structure parameters

Formula	C20 H14 F6 O6
Calculated formula	C20 H14 F6 O6
SMILES	F[C@]1(Oc2ccc(C(=O)OC)cc2)[C@](F)(Oc2ccc(cc2)C(=O)OC)C(F)(F)C1(F)F.F[C@@]1(Oc2ccc(C(=O)OC)cc2)[C@@](F)(Oc2ccc(cc2)C(=O)OC)C(F)(F)C1(F)F
Title of publication	Synthesis and Electronic Factors in Thermal Cyclodimerization of Functionalized Aromatic Trifluorovinyl Ethers
Authors of publication	Bryan K. Spraul; S. Suresh; Jianyong Jin; Dennis W. Smith
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	7055 - 7064
a	6.111 ± 0.0012 Å
b	12.614 ± 0.003 Å
c	12.62 ± 0.003 Å
α	93.54 ± 0.03°
β	97.26 ± 0.03°
γ	95.7 ± 0.03°
Cell volume	957.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1925
Residual factor for significantly intense reflections	0.1371
Weighted residual factors for significantly intense reflections	0.2879
Weighted residual factors for all reflections included in the refinement	0.3117
Goodness-of-fit parameter for all reflections included in the refinement	1.529
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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