Crystallography Open Database

Information card for entry 7121608

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Structure parameters

Formula	C20 H15 Br F3 N O4
Calculated formula	C20 H15 Br F3 N O4
Title of publication	Asymmetric synthesis of α-trifluoromethoxy ketones with a tetrasubstituted α-stereogenic centre via the palladium-catalyzed decarboxylative allylic alkylation of allyl enol carbonates.
Authors of publication	Kondo, Hiroya; Maeno, Mayaka; Hirano, Kazuki; Shibata, Norio
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	44
Pages of publication	5522 - 5525
a	7.0842 ± 0.0003 Å
b	14.2629 ± 0.0004 Å
c	18.9648 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1916.23 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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