Crystallography Open Database

Information card for entry 7128949

Preview

Coordinates	7128949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O2 S
Calculated formula	C23 H18 N2 O2 S
SMILES	S(=O)(=O)(n1c2ccccc2c2c1c1c(nc2C)cccc1)c1ccc(cc1)C
Title of publication	Iminyl-radicals by electrochemical decarboxylation of α-imino-oxy acids: construction of indole-fused polycyclics.
Authors of publication	Wan, Jin-Lin; Cui, Jian-Feng; Zhong, Wei-Qiang; Huang, Jing-Mei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	79
Pages of publication	10242 - 10245
a	8.5865 ± 0.0002 Å
b	14.3767 ± 0.0004 Å
c	15.4328 ± 0.0003 Å
α	90°
β	98.973 ± 0.001°
γ	90°
Cell volume	1881.8 ± 0.08 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
270364 (current)	2021-11-06	cif/ Updating files of 7128949 Original log message: Adding full bibliography for 7128949.cif.	7128949.cif
269062	2021-09-10	cif/ Adding structures of 7128949 via cif-deposit CGI script.	7128949.cif