Crystallography Open Database

Information card for entry 2243271

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Structure parameters

Chemical name	5-Bromo-1,3-di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene
Formula	C17 H29 Br O Si
Calculated formula	C17 H29 Br O Si
SMILES	Brc1cc(c(O[Si](C)(C)C)c(c1)C(C)(C)C)C(C)(C)C
Title of publication	Bulky 2,6-disubstituted aryl siloxanes and a disilanamine
Authors of publication	Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	3
Pages of publication	318 - 323
a	13.0955 ± 0.0001 Å
b	15.3457 ± 0.0002 Å
c	9.0449 ± 0.0001 Å
α	90°
β	94.617 ± 0.001°
γ	90°
Cell volume	1811.76 ± 0.03 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
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	0.0307
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
247946 (current)	2020-02-07	cif/ hkl/ Adding structures of 2243271, 2243272, 2243273 via cif-deposit CGI script.	2243271.cif 2243271.hkl