Crystallography Open Database

Information card for entry 4518087

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Coordinates	4518087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 F N Si2
Calculated formula	C33 H48 F N Si2
Title of publication	Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination
Authors of publication	Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	11693 - 11699
a	8.0636 ± 0.0002 Å
b	13.035 ± 0.0004 Å
c	15.6853 ± 0.0005 Å
α	90°
β	96.548 ± 0.001°
γ	90°
Cell volume	1637.91 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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