Crystallography Open Database

Information card for entry 4088283

Preview

Coordinates	4088283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Cl N2
Calculated formula	C13 H9 Cl N2
SMILES	c1cccc2c(cnn12)c1ccc(cc1)Cl
Title of publication	Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors
Authors of publication	Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	288
a	12.6083 ± 0.0009 Å
b	11.4037 ± 0.0008 Å
c	7.3882 ± 0.0006 Å
α	90°
β	96.485 ± 0.004°
γ	90°
Cell volume	1055.49 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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