Crystallography Open Database

Information card for entry 7155303

Preview

Coordinates	7155303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H80 Cl4 O15
Calculated formula	C49.1 H58.15 Cl4 O14.55
Title of publication	Open-resorcinarenes, a new family of multivalent scaffolds.
Authors of publication	Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	43
Pages of publication	10161 - 10164
a	13.6713 ± 0.0005 Å
b	13.6859 ± 0.0004 Å
c	15.8507 ± 0.0005 Å
α	87.748 ± 0.003°
β	71.565 ± 0.003°
γ	84.007 ± 0.003°
Cell volume	2798.1 ± 0.17 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
188291 (current)	2016-11-08	cif/ Updating files of 7155301, 7155302, 7155303, 7155304 Original log message: Adding full bibliography for 7155301--7155304.cif.	7155303.cif
187014	2016-10-07	cif/ Adding structures of 7155301, 7155302, 7155303, 7155304 via cif-deposit CGI script.	7155303.cif