Crystallography Open Database

Information card for entry 7129679

Preview

Coordinates	7129679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H78 Br N3 Si6
Calculated formula	C45 H78 Br N3 Si6
SMILES	Br[Si]1([Si](=[Si]1N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation
Authors of publication	Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.
Journal of publication	Chemical Communications
Year of publication	2022
a	43.017 ± 0.0013 Å
b	13.5024 ± 0.0004 Å
c	20.2693 ± 0.0007 Å
α	90°
β	117.158 ± 0.002°
γ	90°
Cell volume	10475.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0785
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272842 (current)	2022-02-08	cif/ Adding structures of 7129675, 7129676, 7129677, 7129678, 7129679 via cif-deposit CGI script.	7129679.cif