Crystallography Open Database

Information card for entry 7115855

Preview

Coordinates	7115855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 O3
Calculated formula	C17 H20 O3
SMILES	c1(c(cc(cc1OC)OC)OC)c1c(ccc(c1)C)C
Title of publication	Palladium catalysed cross-dehydrogenative-coupling of 1,3,5-trialkoxybenzenes with simple arenes
Authors of publication	Thomas E. Storr; Faridah Namata; Michael F. Greaney
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13275
a	8.1003 ± 0.0002 Å
b	9.2891 ± 0.0002 Å
c	10.3849 ± 0.0002 Å
α	74.676 ± 0.001°
β	77.423 ± 0.001°
γ	79.302 ± 0.001°
Cell volume	728.7 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0547
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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