Crystallography Open Database

Information card for entry 1568405

Preview

Coordinates	1568405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O3 S2
Calculated formula	C18 H18 N2 O3 S2
Title of publication	Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles.
Authors of publication	Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	11
Pages of publication	3010 - 3017
a	10.53468 ± 0.00011 Å
b	6.40021 ± 0.00007 Å
c	13.58053 ± 0.00014 Å
α	90°
β	106.401 ± 0.0011°
γ	90°
Cell volume	878.396 ± 0.017 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0252
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282298 (current)	2023-04-04	cif/ Updating files of 1568405 Original log message: Adding full bibliography for 1568405.cif.	1568405.cif
280949	2023-02-20	cif/ Adding structures of 1568405 via cif-deposit CGI script.	1568405.cif