Crystallography Open Database

Information card for entry 1542649

Preview

Coordinates	1542649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 Br Cu F8 N2
Calculated formula	C16 H8 Br Cu F8 N2
SMILES	BrC(F)(F)C(F)(F)C(F)(F)C([Cu]1[n]2c3c4[n]1cccc4ccc3ccc2)(F)F
Title of publication	Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.
Authors of publication	Kaplan, Peter T.; Vicic, David A.
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	884 - 886
a	6.598 ± 0.0006 Å
b	17.1674 ± 0.0015 Å
c	14.6901 ± 0.0012 Å
α	90°
β	95.676 ± 0.003°
γ	90°
Cell volume	1655.8 ± 0.2 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	145 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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/1542649.html