Crystallography Open Database

Information card for entry 1576487

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Coordinates	1576487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Si2
Calculated formula	C60 H60 Si2
Title of publication	High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.
Authors of publication	Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel
Journal of publication	Chemical science
Year of publication	2026
a	28.6941 ± 0.0014 Å
b	17.8984 ± 0.0009 Å
c	9.3498 ± 0.0005 Å
α	90°
β	94.361 ± 0.002°
γ	90°
Cell volume	4788 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
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	0.0897
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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