Crystallography Open Database

Information card for entry 7117561

Preview

Coordinates	7117561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 F3 N
Calculated formula	C24 H16 F3 N
Title of publication	Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.
Authors of publication	Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	62
Pages of publication	12419 - 12422
a	11.219 ± 0.005 Å
b	11.5 ± 0.006 Å
c	14.861 ± 0.008 Å
α	72.7 ± 0.03°
β	89.67 ± 0.03°
γ	77.32 ± 0.03°
Cell volume	1782.3 ± 1.6 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103.15 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1971
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.2023
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117561.html