Crystallography Open Database

Information card for entry 4020247

4020246 << 4020247 >> 4020248

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Coordinates	4020247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 F12 N2 P2
Calculated formula	C12 H14 F12 N2 P2
SMILES	c1(cc[n+](C)cc1)c1cc[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cryptands, Powerful Hosts for Paraquat Derivatives
Authors of publication	Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	3231 - 3241
a	14.4612 ± 0.0016 Å
b	11.6741 ± 0.0013 Å
c	10.6275 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1794.2 ± 0.3 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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