Crystallography Open Database

Information card for entry 4133115

Preview

Coordinates	4133115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H58 F12 N2 O Sb2
Calculated formula	C37 H58 F12 N2 O Sb2
Title of publication	Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.
Authors of publication	Antoni, Patrick W.; Hansmann, Max M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	44
Pages of publication	14823 - 14835
a	10.9104 ± 0.0004 Å
b	11.69 ± 0.0004 Å
c	19.0142 ± 0.0007 Å
α	84.791 ± 0.001°
β	89.599 ± 0.001°
γ	64.421 ± 0.001°
Cell volume	2177 ± 0.14 Å³
Cell temperature	102.64 K
Ambient diffraction temperature	102.64 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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