Crystallography Open Database

Information card for entry 7157980

Preview

Coordinates	7157980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O3 S
Calculated formula	C24 H21 N O3 S
Title of publication	Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.
Authors of publication	Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	15
Pages of publication	3379 - 3383
a	18.9549 ± 0.0016 Å
b	8.4866 ± 0.0007 Å
c	24.972 ± 0.002 Å
α	90°
β	92.897 ± 0.001°
γ	90°
Cell volume	4011.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264958 (current)	2021-05-05	cif/ Updating files of 7157980, 7157981 Original log message: Adding full bibliography for 7157980--7157981.cif.	7157980.cif
263199	2021-03-20	cif/ Adding structures of 7157980, 7157981 via cif-deposit CGI script.	7157980.cif