Crystallography Open Database

Information card for entry 7225660

Preview

Coordinates	7225660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 B2 F8 N2
Calculated formula	C48 H36 B2 F8 N2
SMILES	[B](F)(F)(F)[F-].C1[n+]2ccc(c3cc(cc(c23)[C@H](C1)c1ccccc1)c1cc2[C@@H](CC[n+]3ccc(c(c1)c23)c1ccccc1)c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
Title of publication	A Concise Synthesis of Quinolinium, and Biquinolinium Salts and Biquinolines from Benzylic Azides and Alkenes Promoted by Copper(II) Species
Authors of publication	Chen, Wei-Chen; Parthasarathy, Gandeepan; Tsai, Chia-Hung; Luo, Ching-Zong; Rajamalli, Pachaiyappan; Cheng, Chien Hong
Journal of publication	RSC Adv.
Year of publication	2016
a	13.2275 ± 0.0013 Å
b	12.9049 ± 0.0011 Å
c	12.2015 ± 0.0011 Å
α	90°
β	110.482 ± 0.006°
γ	90°
Cell volume	1951.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.2009
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.219
Weighted residual factors for all reflections included in the refinement	0.2861
Goodness-of-fit parameter for all reflections included in the refinement	0.67
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183903 (current)	2016-06-24	cif/ Adding structures of 7225658, 7225659, 7225660 via cif-deposit CGI script.	7225660.cif