Crystallography Open Database

Information card for entry 1550744

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Coordinates	1550744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H131 O Si6
Calculated formula	C83 H131 O Si6
Title of publication	Site-Selective Functionalization of Si6R6 Siliconoids
Authors of publication	Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David
Journal of publication	Chemical Science
Year of publication	2019
a	13.3961 ± 0.0003 Å
b	18.2592 ± 0.0005 Å
c	19.4141 ± 0.0004 Å
α	67.901 ± 0.001°
β	70.154 ± 0.001°
γ	76.309 ± 0.001°
Cell volume	4106.07 ± 0.17 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 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	0.0908
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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