Crystallography Open Database

Information card for entry 7121853

Preview

Coordinates	7121853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Br Cl N2 O Rh
Calculated formula	C17 H21 Br Cl N2 O Rh
Title of publication	Rhodium-catalyzed oxidative C-H/C-H cross-coupling of aniline with heteroarene: N-nitroso group enabled mild conditions.
Authors of publication	He, Shuang; Tan, Guangying; Luo, Anping; You, Jingsong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	56
Pages of publication	7794 - 7797
a	15.4304 ± 0.0005 Å
b	14.9823 ± 0.0004 Å
c	16.4747 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3808.7 ± 0.2 Å³
Cell temperature	295.4 ± 0.2 K
Ambient diffraction temperature	295.4 ± 0.2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
228138 (current)	2019-11-17	cif/ Updating files of 7121853 Original log message: Adding full bibliography for 7121853.cif.	7121853.cif
208498	2018-06-19	cif/ Adding structures of 7121853 via cif-deposit CGI script.	7121853.cif