Crystallography Open Database

Information card for entry 1562057

1562056 << 1562057 >> 1562058

Preview

Coordinates	1562057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 O5 S Si
Calculated formula	C23 H30 O5 S Si
SMILES	[Si]([C@](SCCC(=O)OC)(O)C(=O)OC(C)(C)C)(C)(c1ccccc1)c1ccccc1
Title of publication	Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.
Authors of publication	Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	21
Pages of publication	7498 - 7503
a	9.2424 ± 0.0003 Å
b	8.7534 ± 0.0003 Å
c	15.2178 ± 0.0004 Å
α	90°
β	96.784 ± 0.001°
γ	90°
Cell volume	1222.54 ± 0.07 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0244
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
268620 (current)	2021-09-06	cif/ Updating files of 1562057, 1562058 Original log message: Adding full bibliography for 1562057--1562058.cif.	1562057.cif
264504	2021-04-25	cif/ Adding structures of 1562057, 1562058 via cif-deposit CGI script.	1562057.cif