Crystallography Open Database

Information card for entry 1553447

Preview

Coordinates	1553447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 N O3 S
Calculated formula	C26 H21 N O3 S
SMILES	S1(=O)(=O)N(C(=O)CCc2c(c3c1cccc3)c(c1ccccc1c2)c1ccccc1)C
Title of publication	A palladium-catalyzed tandem reaction of 2-alkynylbenzenesulfonamides with 2-(2-bromoarylidene)cyclobutanones
Authors of publication	Gong, Xinxing; Xia, Hongguang; Wu, Jie
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	6
Pages of publication	697
a	21.51 ± 0.02 Å
b	10.73 ± 0.01 Å
c	19.7 ± 0.019 Å
α	90°
β	113.492 ± 0.012°
γ	90°
Cell volume	4170 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1656
Residual factor for significantly intense reflections	0.1158
Weighted residual factors for significantly intense reflections	0.3092
Weighted residual factors for all reflections included in the refinement	0.3265
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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