Crystallography Open Database

Information card for entry 7052631

Preview

Coordinates	7052631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 O16
Calculated formula	C48 H64 O12.578
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	10.94 ± 0.005 Å
b	12.189 ± 0.005 Å
c	17.454 ± 0.01 Å
α	78.497 ± 0.006°
β	87.202 ± 0.007°
γ	84.105 ± 0.004°
Cell volume	2267.7 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1476
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2308
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052631.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052631.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052631.cif
21417	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7052630, 7052631 via cif-deposit CGI script.	7052631.cif