Crystallography Open Database

Information card for entry 4128686

Preview

Coordinates	4128686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 F N O2 S
Calculated formula	C20 H18 F N O2 S
Title of publication	Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.
Authors of publication	Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	18
Pages of publication	7582 - 7588
a	6.2029 ± 0.0001 Å
b	8.504 ± 0.0001 Å
c	16.5123 ± 0.0002 Å
α	90°
β	97.283 ± 0.001°
γ	90°
Cell volume	863.99 ± 0.02 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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