Crystallography Open Database

Information card for entry 7121121

Preview

Coordinates	7121121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 N O2 S
Calculated formula	C22 H17 N O2 S
SMILES	S(=O)(=O)(c1c(c2c(nc1)ccc(c2)C)c1ccccc1)c1ccccc1
Title of publication	Visible-light-induced multicomponent cascade cycloaddition involving N-propargyl aromatic amines, diaryliodonium salts and sulfur dioxide: rapid access to 3-arylsulfonylquinolines.
Authors of publication	Sun, Deli; Yin, Kun; Zhang, Ronghua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	11
Pages of publication	1335 - 1338
a	7.3596 ± 0.0008 Å
b	10.4885 ± 0.0012 Å
c	23.677 ± 0.003 Å
α	90°
β	96.831 ± 0.004°
γ	90°
Cell volume	1814.7 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0709
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
228587 (current)	2019-11-17	cif/ Updating files of 7121121 Original log message: Adding full bibliography for 7121121.cif.	7121121.cif
205008	2018-01-10	cif/ Adding structures of 7121121 via cif-deposit CGI script.	7121121.cif