Crystallography Open Database

Information card for entry 7133152

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Coordinates	7133152.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LXY
Formula	C31 H46 F N S Si2
Calculated formula	C31 H46 F N S Si2
Title of publication	Regiodivergent C–H Alkynylation of 2-Arylthiazoles Switched by RuII and PdII Catalysis
Authors of publication	Zhou, Pengfei; Liang, Xinyao; Xu, Zekun; Chen, Honggu; Wei, Zongwu; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan
Journal of publication	Chemical Communications
Year of publication	2024
a	8.1462 ± 0.0004 Å
b	13.1951 ± 0.0005 Å
c	15.8775 ± 0.0007 Å
α	90°
β	96.946 ± 0.004°
γ	90°
Cell volume	1694.15 ± 0.13 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 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	0.0993
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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