Crystallography Open Database

Information card for entry 7125730

Preview

Coordinates	7125730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Cl F N2 O Rh
Calculated formula	C17 H21 Cl F N2 O Rh
Title of publication	Divergent C-H activation synthesis of chalcones, quinolones and indoles.
Authors of publication	Shi, Yuesen; Xing, Huimin; Huang, Tianle; Liu, Xuexin; Chen, Jian; Guo, Xiaoyu; Li, Guo-Bo; Wu, Yong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	10
Pages of publication	1585 - 1588
a	8.543 ± 0.004 Å
b	14.111 ± 0.006 Å
c	14.684 ± 0.007 Å
α	90°
β	92.284 ± 0.007°
γ	90°
Cell volume	1768.8 ± 1.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	7
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	0.0619
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
248805 (current)	2020-03-05	cif/ Updating files of 7125729, 7125730 Original log message: Adding full bibliography for 7125729--7125730.cif.	7125730.cif
246517	2020-01-04	cif/ Adding structures of 7125729, 7125730 via cif-deposit CGI script.	7125730.cif