Crystallography Open Database

Information card for entry 7052630

Preview

Coordinates	7052630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H58 O14.4
Calculated formula	C47 H58 O14.191
Title of publication	Solvent mediated self-assembly of organic nanostructures
Authors of publication	Maerz, Andrew K.; Fowler, Drew A.; Mossine, Andrew V.; Mistry, Miten; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	4
Pages of publication	784
a	39.531 ± 0.007 Å
b	10.5545 ± 0.0018 Å
c	23.913 ± 0.004 Å
α	90°
β	111.845 ± 0.002°
γ	90°
Cell volume	9261 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1495
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2585
Weighted residual factors for all reflections included in the refinement	0.3266
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052630.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052630.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052630.cif
21417	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7052630, 7052631 via cif-deposit CGI script.	7052630.cif