Crystallography Open Database

Information card for entry 7155302

Preview

Coordinates	7155302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H52 Cl4 O15.5
Calculated formula	C38 H45.5 Cl4 O15.3
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	11.519 ± 0.0003 Å
b	12.8094 ± 0.0005 Å
c	15.5844 ± 0.0004 Å
α	79.044 ± 0.003°
β	77.462 ± 0.002°
γ	71.732 ± 0.003°
Cell volume	2112.99 ± 0.12 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	0.1377
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2403
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7155302.cif
187014	2016-10-07	cif/ Adding structures of 7155301, 7155302, 7155303, 7155304 via cif-deposit CGI script.	7155302.cif