Crystallography Open Database

Information card for entry 1555679

Preview

Coordinates	1555679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Cl O3 S
Calculated formula	C24 H19 Cl O3 S
SMILES	Clc1ccc(S(=O)(=O)C(=C2CC2)C(c2ccccc2)C(=O)c2ccccc2)cc1
Title of publication	Solvent-Controlled, Tunable Hydrosulfonylation of 3-Cyclopropylideneprop-2-en-1-ones.
Authors of publication	Miao, Maozhong; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	17
Pages of publication	4292 - 4295
a	5.9791 ± 0.0004 Å
b	10.7506 ± 0.0009 Å
c	17.3037 ± 0.0015 Å
α	73.509 ± 0.007°
β	81.064 ± 0.006°
γ	73.991 ± 0.006°
Cell volume	1021.56 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.0754
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555679.html