Crystallography Open Database

Information card for entry 1568543

Preview

Coordinates	1568543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N O4 S
Calculated formula	C25 H21 N O4 S
Title of publication	Copper-catalyzed enantioselective diyne cyclization <i>via</i> C(sp<sup>2</sup>)-O bond cleavage.
Authors of publication	Zhou, Ji-Jia; Meng, Ya-Nan; Liu, Li-Gao; Liu, Yi-Xi; Xu, Zhou; Lu, Xin; Zhou, Bo; Ye, Long-Wu
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	13
Pages of publication	3493 - 3500
a	9.1898 ± 0.0001 Å
b	7.9984 ± 0.0001 Å
c	14.9186 ± 0.0002 Å
α	90°
β	94.829 ± 0.001°
γ	90°
Cell volume	1092.68 ± 0.02 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.044
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
282287 (current)	2023-04-04	cif/ Updating files of 1568543 Original log message: Adding full bibliography for 1568543.cif.	1568543.cif
281185	2023-03-01	cif/ Adding structures of 1568543 via cif-deposit CGI script.	1568543.cif