Crystallography Open Database

Information card for entry 7045595

Preview

Coordinates	7045595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 B2 F4 O4 Si4
Calculated formula	C32 H38 B2 F4 O4 Si4
SMILES	c12c(c(F)ccc1)[Si](C)(C)[OH][B]12c3c(c(ccc3)F)[Si](O1)(C)C
Title of publication	An intramolecular ortho-assisted activation of the silicon-hydrogen bond in arylsilanes: an experimental and theoretical study.
Authors of publication	Durka, Krzysztof; Urban, Mateusz; Czub, Maja; Dąbrowski, Marek; Tomaszewski, Patryk; Luliński, Sergiusz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3705 - 3716
a	20.3719 ± 0.0004 Å
b	8.543 ± 0.0002 Å
c	20.6238 ± 0.0005 Å
α	90°
β	90.992 ± 0.002°
γ	90°
Cell volume	3588.77 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
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	0.0395
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
229992 (current)	2019-11-17	cif/ Updating files of 7045594, 7045595 Original log message: Adding full bibliography for 7045594--7045595.cif.	7045595.cif
206354	2018-02-10	cif/ Adding structures of 7045594, 7045595 via cif-deposit CGI script.	7045595.cif