Crystallography Open Database

Information card for entry 1548939

Preview

Coordinates	1548939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 N O2 Si
Calculated formula	C22 H23 N O2 Si
SMILES	[Si](C([C@@]1([C@@]2(C(=O)N(c3c2cccc3)C)C1)c1ccccc1)=C=O)(C)(C)C
Title of publication	An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.
Authors of publication	Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	12
Pages of publication	3221 - 3226
a	10.4794 ± 0.0008 Å
b	7.0464 ± 0.0006 Å
c	13.4791 ± 0.001 Å
α	90°
β	100.094 ± 0.005°
γ	90°
Cell volume	979.92 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0774
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1657
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.269
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228864 (current)	2019-11-17	cif/ Updating files of 1548939, 1548940 Original log message: Adding full bibliography for 1548939--1548940.cif.	1548939.cif
206505	2018-02-20	cif/ Adding structures of 1548939, 1548940 via cif-deposit CGI script.	1548939.cif