Crystallography Open Database

Information card for entry 7111740

Preview

Coordinates	7111740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H105.52 N34 O33.76 S
Calculated formula	C60 H105.52 N34 O33.76 S
Title of publication	Unconventional U-shaped conformation of a bolaamphiphile embedded in a synthetic host
Authors of publication	Baek, Kangkyun; Kim, Youngkook; Kim, Hyunuk; Yoon, Minyoung; Hwang, Ilha; Ko, Young Ho; Kim, Kimoon
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	23
Pages of publication	4091 - 4093
a	13.171 ± 0.003 Å
b	20.825 ± 0.004 Å
c	15.453 ± 0.003 Å
α	90°
β	100.8 ± 0.03°
γ	90°
Cell volume	4163.5 ± 1.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.85 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111740.cif
96758	2014-01-29	cif/ Adding structures of 7111740 via cif-deposit CGI script.	7111740.cif