Crystallography Open Database

Information card for entry 4115279

Preview

Coordinates	4115279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H33 Br N
Calculated formula	C15 H33 Br N
Title of publication	From Chiral Counterions to Twisted Membranes
Authors of publication	Damien Berthier; Thierry Buffeteau; Jean-Michel Léger; Reiko Oda; Ivan Huc
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13486 - 13494
a	6.971 ± 0.003 Å
b	8.667 ± 0.002 Å
c	15.737 ± 0.002 Å
α	80.81 ± 0.01°
β	88.21 ± 0.02°
γ	66.44 ± 0.02°
Cell volume	859.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for all reflections	0.1442
Weighted residual factors for significantly intense reflections	0.1384
Goodness-of-fit parameter for all reflections	1.034
Goodness-of-fit parameter for significantly intense reflections	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/4115279.html