Crystallography Open Database

Information card for entry 7052781

Preview

Coordinates	7052781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 N P
Calculated formula	C19 H14 N P
SMILES	c1(ccccc1C#N)P(c1ccccc1)c1ccccc1
Title of publication	Fluoride catalyzed P‒aryl-coupling—a mild approach to functionalized arylphosphines
Authors of publication	Reis, Andreas; Dehe, Daniel; Farsadpour, Saeid; Munstein, Isabel; Sun, Yu; Thiel, Werner R.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	11
Pages of publication	2488
a	8.4168 ± 0.0005 Å
b	9.9909 ± 0.0008 Å
c	10.6003 ± 0.0009 Å
α	107.361 ± 0.007°
β	104.961 ± 0.006°
γ	107.851 ± 0.006°
Cell volume	747.45 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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