Crystallography Open Database

Information card for entry 4105886

Preview

Coordinates	4105886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 F3 N O2 S
Calculated formula	C23 H26 F3 N O2 S
Title of publication	Highly Diastereoselective Arylations of Substituted Piperidines
Authors of publication	Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	4774 - 4777
a	31.5413 ± 0.0005 Å
b	5.4905 ± 0.0001 Å
c	25.8592 ± 0.0004 Å
α	90°
β	110.793 ± 0.0008°
γ	90°
Cell volume	4186.55 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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