Crystallography Open Database

Information card for entry 4085520

Preview

Coordinates	4085520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O3
Calculated formula	C14 H10 O3
SMILES	C1(=O)c2c(cccc2c2c1ccc(c2)OC)O
Title of publication	Palladium-Catalyzed Direct Ortho Aroylation of 2-Phenoxypyridines with Aldehydes and Catalytic Mechanism Investigation
Authors of publication	Chu, Jean-Ho; Chen, Shih-Tien; Chiang, Meng-Fan; Wu, Ming-Jung
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	5
Pages of publication	953
a	25.26 ± 0.02 Å
b	5.038 ± 0.005 Å
c	17.291 ± 0.017 Å
α	90°
β	104.812 ± 0.016°
γ	90°
Cell volume	2127 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0969
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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