Crystallography Open Database

Information card for entry 4115280

Preview

Coordinates	4115280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H37 Br N2 O3
Calculated formula	C17 H33 Br N O2.85
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	8.241 ± 0.001 Å
b	9.356 ± 0.001 Å
c	14.281 ± 0.001 Å
α	74.423 ± 0.01°
β	85.333 ± 0.01°
γ	71.042 ± 0.01°
Cell volume	1003.11 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2056
Residual factor for significantly intense reflections	0.1121
Weighted residual factors for significantly intense reflections	0.2584
Weighted residual factors for all reflections included in the refinement	0.3217
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178923 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/52.	4115280.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115280.cif
68733	2012-11-20	cif/ Adding structures of 4115280 via cif-deposit CGI script.	4115280.cif