Crystallography Open Database

Information card for entry 1569479

Preview

Coordinates	1569479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 N O6 Si
Calculated formula	C26 H33 N O6 Si
SMILES	[Si]([C@](O)(Cc1oc(nc1)c1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C)(C)(C)c1ccccc1
Title of publication	Bimetallic tandem catalysis-enabled enantioselective cycloisomerization/carbonyl-ene reaction for construction of 5-oxazoylmethyl α-silyl alcohol.
Authors of publication	Sang, Xinpeng; Mo, Yuhao; Li, Shiya; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	31
Pages of publication	8315 - 8320
a	12.5846 ± 0.0004 Å
b	22.3829 ± 0.0007 Å
c	20.1826 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5685 ± 0.3 Å³
Cell temperature	142 ± 2 K
Ambient diffraction temperature	142 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
286066 (current)	2023-09-05	cif/ Updating files of 1569479 Original log message: Adding full bibliography for 1569479.cif.	1569479.cif
285087	2023-07-08	cif/ Adding structures of 1569479 via cif-deposit CGI script.	1569479.cif