Crystallography Open Database

Information card for entry 4514384

Preview

Coordinates	4514384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N2 O3 Rh S
Calculated formula	C24 H29 N2 O3 Rh S
SMILES	[Rh]12345([n]6ccccc6)(N(S(=O)(=O)c6c1cccc6C)C(=O)C)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C
Title of publication	RhCl3-Catalyzed Oxidative C‒H/C‒H Cross-Coupling of (Hetero)aromatic Sulfonamides with (Hetero)arenes
Authors of publication	Ran, You; Yang, Yudong; You, Huansha; You, Jingsong
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	3
Pages of publication	1796
a	9.8164 ± 0.0003 Å
b	14.358 ± 0.0004 Å
c	17.0526 ± 0.0004 Å
α	90°
β	90.736 ± 0.003°
γ	90°
Cell volume	2403.26 ± 0.11 Å³
Cell temperature	293.06 ± 0.1 K
Ambient diffraction temperature	293.06 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
227506 (current)	2019-11-12	cif/ Updating files of 4514384 Original log message: Adding full bibliography for 4514384.cif.	4514384.cif
205975	2018-02-01	cif/ Adding structures of 4514384 via cif-deposit CGI script.	4514384.cif