Crystallography Open Database

Information card for entry 4025543

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Coordinates	4025543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 N P2
Calculated formula	C32 H25 N P2
SMILES	P(n1ccc2cccc(P(c3ccccc3)c3ccccc3)c12)(c1ccccc1)c1ccccc1
Title of publication	A Novel, Air-Stable Phosphine Ligand for the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction of Chloro Arenes
Authors of publication	Raju Ghosh; N. N. Adarsh; Amitabha Sarkar
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	5320 - 5322
a	11.2845 ± 0.0007 Å
b	25.4016 ± 0.0016 Å
c	18.7306 ± 0.0012 Å
α	90°
β	105.858 ± 0.001°
γ	90°
Cell volume	5164.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1495
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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