Crystallography Open Database

Information card for entry 4080522

Preview

Coordinates	4080522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 N Si3
Calculated formula	C72 H108 N Si3
Title of publication	Functionalized Cyclic Disilenes via Ring Expansion of Cyclotrisilenes with Isocyanides
Authors of publication	Ohmori, Yu; Ichinohe, Masaaki; Sekiguchi, Akira; Cowley, Michael J.; Huch, Volker; Scheschkewitz, David
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1591
a	13.3836 ± 0.0006 Å
b	13.6638 ± 0.0006 Å
c	19.0406 ± 0.0008 Å
α	83.677 ± 0.002°
β	87.454 ± 0.002°
γ	73.316 ± 0.002°
Cell volume	3314.8 ± 0.3 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 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	0.0691
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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