Crystallography Open Database

Information card for entry 4031542

Preview

Coordinates	4031542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H46 Cl4 Si2
Calculated formula	C60 H46 Cl4 Si2
Title of publication	Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.
Authors of publication	Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	20
Pages of publication	10134 - 10150
a	9.0476 ± 0.0004 Å
b	11.7771 ± 0.0006 Å
c	13.5039 ± 0.0007 Å
α	94.119 ± 0.002°
β	102.219 ± 0.0019°
γ	111.081 ± 0.0018°
Cell volume	1294.8 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.049
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1181
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	Yes
Has F_obs	No

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