Crystallography Open Database

Information card for entry 7156292

Preview

Structure parameters

Formula	C31 H25 B Cl2 F4 N2
Calculated formula	C31 H25 B Cl2 F4 N2
Title of publication	Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.
Authors of publication	Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	27
Pages of publication	5021 - 5026
a	8.8458 ± 0.0007 Å
b	12.0478 ± 0.0009 Å
c	13.9043 ± 0.001 Å
α	89.408 ± 0.006°
β	83.302 ± 0.006°
γ	72.134 ± 0.007°
Cell volume	1400.22 ± 0.19 Å³
Cell temperature	108.5 ± 0.5 K
Ambient diffraction temperature	108.5 ± 0.5 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	0.0865
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7156292.html