Crystallography Open Database

Information card for entry 1529510

Preview

Coordinates	1529510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.33 H22.66 F34 N4 O2.33
Calculated formula	C35.3333 H22 F34 N4 O2.33333
Title of publication	Fluorous 'ponytails' lead to strong gelators showing thermally induced structure evolution.
Authors of publication	Kumari, Harshita; Armitage, Sarah E.; Kline, Steven R.; Damodaran, Krishna K.; Kennedy, Stuart R.; Atwood, Jerry L.; Steed, Jonathan W.
Journal of publication	Soft matter
Year of publication	2015
Journal volume	11
Journal issue	43
Pages of publication	8471 - 8478
a	13.287 ± 0.003 Å
b	14.229 ± 0.003 Å
c	18.87 ± 0.004 Å
α	70.476 ± 0.002°
β	72.879 ± 0.002°
γ	85.688 ± 0.002°
Cell volume	3212.4 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 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	0.0692
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171376 (current)	2015-12-09	cif/ Updating files of 1529510 Original log message: Adding full bibliography for 1529510.cif.	1529510.cif
153934	2015-09-04	cif/ Adding structures of 1529510 via cif-deposit CGI script.	1529510.cif