Crystallography Open Database

Information card for entry 1506670

Preview

Coordinates	1506670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.75 H27 Cl0.5
Calculated formula	C40.75 H27 Cl0.5
Title of publication	[2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.
Authors of publication	Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	17
Pages of publication	3793 - 3795
a	11.903 ± 0.002 Å
b	12.782 ± 0.002 Å
c	18.785 ± 0.003 Å
α	90.687 ± 0.008°
β	95.682 ± 0.008°
γ	96.926 ± 0.008°
Cell volume	2822.4 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.1113
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506670.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506670.cif
50488	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506670 via cif-deposit CGI script.	1506670.cif