Crystallography Open Database

Information card for entry 1555457

Preview

Coordinates	1555457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O3 S
Calculated formula	C23 H18 N2 O3 S
SMILES	c1ccccc1C(=O)Nc1ccc(c2c1nccc2)S(=O)(=O)c1ccc(cc1)C
Title of publication	Copper(I)-Catalyzed Sulfonylation of 8-Aminoquinoline Amides with Sulfonyl Chlorides in Air.
Authors of publication	Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Dong, Yaxi; Wu, Yusheng; Kong, Xiangtao; Jiang, Ling; Wu, Yangjie
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	24
Pages of publication	6086 - 6089
a	9.5468 ± 0.0005 Å
b	10.4076 ± 0.0006 Å
c	11.3179 ± 0.0007 Å
α	103.653 ± 0.005°
β	93.612 ± 0.005°
γ	114.414 ± 0.006°
Cell volume	978.53 ± 0.12 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238713 (current)	2019-11-24	cif/ Adding structures of 1555457 via cif-deposit CGI script.	1555457.cif