Crystallography Open Database

Information card for entry 7132943

Preview

Coordinates	7132943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 F N O S
Calculated formula	C23 H16 F N O S
SMILES	s1c(nc2c1cccc2)C(=C\c1c(cccc1)C(=O)C)/c1ccc(F)cc1
Title of publication	<i>Z</i>-selective radical difunctionalization of aromatic alkynes: synthesis of multi-substituted triarylethenes.
Authors of publication	Wang, Xinxin; Wang, Jie; Ji, Meishan; Wu, Xinxin; Zhu, Chen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	37
Pages of publication	4894 - 4897
a	12.5347 ± 0.0007 Å
b	15.7748 ± 0.0008 Å
c	19.3093 ± 0.001 Å
α	90°
β	98.0108 ± 0.0016°
γ	90°
Cell volume	3780.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0927
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1992
Weighted residual factors for all reflections included in the refinement	0.2219
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
291508 (current)	2024-05-05	cif/ Updating files of 7132942, 7132943 Original log message: Adding full bibliography for 7132942--7132943.cif.	7132943.cif
291161	2024-04-11	cif/ Adding structures of 7132942, 7132943 via cif-deposit CGI script.	7132943.cif