Crystallography Open Database

Information card for entry 4020665

4020664 << 4020665 >> 4020666

Preview

Structure parameters

Formula	C28 H11 B F15 N O
Calculated formula	C28 H11 B F15 N O
SMILES	O[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F.[n+]1(C)ccc2ccccc2c1
Title of publication	Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts
Authors of publication	Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	10653 - 10659
a	15.511 ± 0.0005 Å
b	10.2182 ± 0.0003 Å
c	16.1676 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2562.48 ± 0.14 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
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/4020665.html