Crystallography Open Database

Information card for entry 4022149

Preview

Coordinates	4022149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl6 Sb
Calculated formula	C24 H24 Cl6 Sb
SMILES	c1(C)cccc2c(cccc12)C.c1(cccc2c(cccc12)C)C.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl
Title of publication	The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons
Authors of publication	Sergiy V. Rosokha; Jay K. Kochi
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	9357 - 9365
a	6.7725 ± 0.0003 Å
b	9.8657 ± 0.0005 Å
c	10.2475 ± 0.0005 Å
α	85.979 ± 0.001°
β	73.065 ± 0.001°
γ	72.593 ± 0.001°
Cell volume	624.9 ± 0.05 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0355
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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