Crystallography Open Database

Information card for entry 1550743

Preview

Coordinates	1550743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H138 Si7
Calculated formula	C84 H138 Si7
SMILES	[Si]123[Si]([Si]41[Si]2([Si]([Si]34c1c(cc(cc1C(C)C)C(C)C)C(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)([Si](C)(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC
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	21.007 ± 0.0007 Å
b	20.4182 ± 0.0007 Å
c	19.9183 ± 0.0007 Å
α	90°
β	95.4324 ± 0.0013°
γ	90°
Cell volume	8505.1 ± 0.5 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1319
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

Version history

Revision	Date	Message	Files
214124 (current)	2019-03-15	cif/ Adding structures of 1550741, 1550742, 1550743, 1550744, 1550745, 1550746 via cif-deposit CGI script.	1550743.cif