Crystallography Open Database

Information card for entry 7247197

Preview

Coordinates	7247197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O4 S
Calculated formula	C24 H27 N O4 S
SMILES	S(=O)(=O)(N1CC=C2c3ccc(cc3C(C)(C2C1)C)C(=O)OCC)c1ccc(C)cc1
Title of publication	CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis
Authors of publication	Gao, Yuzhen; Liu, Siqing; Su, Weiping
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	18
Pages of publication	7335 - 7343
a	5.4248 ± 0.0001 Å
b	30.6105 ± 0.0006 Å
c	12.8838 ± 0.0002 Å
α	90°
β	94.772 ± 0.001°
γ	90°
Cell volume	2132.01 ± 0.07 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
286753 (current)	2023-10-06	cif/ Updating files of 7247197, 7247198, 7247199 Original log message: Adding full bibliography for 7247197--7247199.cif.	7247197.cif
285635	2023-08-12	cif/ Adding structures of 7247197, 7247198, 7247199 via cif-deposit CGI script.	7247197.cif