Crystallography Open Database

Information card for entry 4135600

Preview

Coordinates	4135600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Si
Calculated formula	C30 H26 Si
SMILES	c12c3cccc1c1ccccc1C2=Cc1ccccc1[Si]3(c1ccccc1)C(C)(C)C
Title of publication	Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.
Authors of publication	Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	3
Pages of publication	1641 - 1650
a	10.3171 ± 0.0018 Å
b	12.986 ± 0.002 Å
c	17.529 ± 0.003 Å
α	75.678 ± 0.007°
β	85.033 ± 0.009°
γ	86.4309 ± 0.001°
Cell volume	2264.9 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261472 (current)	2021-02-04	cif/ Adding structures of 4135600 via cif-deposit CGI script.	4135600.cif