Crystallography Open Database

Information card for entry 4518677

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Coordinates	4518677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Br N O4 Si
Calculated formula	C26 H38 Br 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	11.3628 ± 0.0001 Å
b	14.9417 ± 0.0001 Å
c	32.8659 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5579.96 ± 0.08 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 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	0.0297
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
264794 (current)	2021-05-03	cif/ Adding structures of 4518677 via cif-deposit CGI script.	4518677.cif