Crystallography Open Database

Information card for entry 7118293

Preview

Coordinates	7118293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H47 Cl Hg O4
Calculated formula	C40 H47 Cl Hg O4
Title of publication	Synthesis of inherently chiral calixarenes via direct mercuration of the partial cone conformation.
Authors of publication	Slavík, Petr; Kohout, Michal; Böhm, Stanislav; Eigner, Václav; Lhoták, Pavel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	11
Pages of publication	2366 - 2369
a	36.8232 ± 0.0011 Å
b	9.7905 ± 0.0003 Å
c	26.7317 ± 0.0009 Å
α	90°
β	131.016 ± 0.004°
γ	90°
Cell volume	7271.6 ± 0.6 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.0323
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for significantly intense reflections	1.38
Goodness-of-fit parameter for all reflections included in the refinement	1.37
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175883 (current)	2016-02-04	cif/ Updating files of 7118292, 7118293, 7118294 Original log message: Adding full bibliography for 7118292--7118294.cif.	7118293.cif
173516	2016-01-06	cif/ Adding structures of 7118292, 7118293, 7118294 via cif-deposit CGI script.	7118293.cif