Crystallography Open Database

Information card for entry 4518676

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Coordinates	4518676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 F3 N O4 Si
Calculated formula	C22 H28 F3 N O4 Si
Title of publication	Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates
Authors of publication	Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	8
Pages of publication	4712 - 4721
a	8.38863 ± 0.00008 Å
b	11.45356 ± 0.0001 Å
c	24.7725 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2380.13 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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 all reflections	0.0329
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264793 (current)	2021-05-03	cif/ Adding structures of 4518676 via cif-deposit CGI script.	4518676.cif