Crystallography Open Database

Information card for entry 4123478

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Structure parameters

Formula	C25 H26
Calculated formula	C25 H26
Title of publication	Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.
Authors of publication	Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	9
Pages of publication	3189 - 3192
a	26.251 ± 0.005 Å
b	26.251 ± 0.005 Å
c	11.422 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7871 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	2
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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