Crystallography Open Database

Information card for entry 4132039

4132038 << 4132039 >> 4132040

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Coordinates	4132039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H99 Cl13 N2 Sb2
Calculated formula	C106 H99 Cl13 N2 Sb2
Title of publication	Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.
Authors of publication	Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	13
Pages of publication	4649 - 4655
a	17.484 ± 0.008 Å
b	18.351 ± 0.008 Å
c	18.671 ± 0.009 Å
α	110.418 ± 0.004°
β	104.903 ± 0.002°
γ	108.597 ± 0.0016°
Cell volume	4842 ± 4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.2072
Weighted residual factors for all reflections included in the refinement	0.2367
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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