Crystallography Open Database

Information card for entry 4502717

Preview

Coordinates	4502717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H63 F6 N14 O8 S2
Calculated formula	C60 H63 F6 N14 O8 S2
Title of publication	Construction of microbelts through the coassembly of a disclike molecule and primary alkyl ammoniums: a noncovalent strategy to mimic covalently bonded pi-core alkyl chain structure.
Authors of publication	Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2010
Journal volume	26
Journal issue	16
Pages of publication	13048 - 13051
a	16.9835 ± 0.0006 Å
b	22.2688 ± 0.0008 Å
c	16.8528 ± 0.0006 Å
α	90°
β	102.78 ± 0.001°
γ	90°
Cell volume	6215.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1277
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2106
Weighted residual factors for all reflections included in the refinement	0.2623
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179558 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27.	4502717.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502717.cif
36716	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502716, 4502717 via cif-deposit CGI script.	4502717.cif