Crystallography Open Database

Information card for entry 7247935

Preview

Coordinates	7247935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cl N O2 S
Calculated formula	C16 H16 Cl N O2 S
SMILES	Clc1c(N/C=C(/S(=O)(=O)c2ccc(cc2)C)C)cccc1
Title of publication	Photocatalytic selective synthesis of (E)-β-aminovinyl sulfones and (E)-β-amidovinyl sulfones using Ru(bpy)3Cl2 as the catalyst
Authors of publication	Huang, Yu-Wen; Li, Jia-Zhuo; Yang, Feng; Zhang, Xi-Yu; Wang, Yan-Jing; Meng, Xin-Chao; Leng, Bo-Rong; Wang, De-Cai; Zhu, Yi-Long
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	1
Pages of publication	700 - 706
a	7.5547 ± 0.0008 Å
b	10.3453 ± 0.0011 Å
c	11.0141 ± 0.0012 Å
α	87.479 ± 0.003°
β	80.687 ± 0.002°
γ	70.175 ± 0.001°
Cell volume	799.07 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
288624 (current)	2024-01-03	cif/ Adding structures of 7247935 via cif-deposit CGI script.	7247935.cif