Crystallography Open Database

Information card for entry 1557082

Preview

Coordinates	1557082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 O3
Calculated formula	C24 H18 O3
SMILES	Oc1c(OC)cc(c2c3c4c5c(cc3)cccc5ccc4cc2)cc1OC
Title of publication	Sulfoxide-mediated oxidative cross-coupling of phenols
Authors of publication	He, Zhen; Perry, Gregory J. P.; Procter, David J.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	7
Pages of publication	2001 - 2005
a	21.613 ± 0.0013 Å
b	12.1859 ± 0.0007 Å
c	13.5922 ± 0.0007 Å
α	90°
β	104.043 ± 0.006°
γ	90°
Cell volume	3472.8 ± 0.4 Å³
Cell temperature	150 ± 0.3 K
Ambient diffraction temperature	150 ± 0.3 K
Number of distinct elements	3
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	0.0688
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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

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