Crystallography Open Database

Information card for entry 4126797

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Structure parameters

Formula	C32 H32 N4 O4
Calculated formula	C32 H32 N4 O4
Title of publication	Palladium-Catalyzed Dearomative syn-1,4-Carboamination.
Authors of publication	Okumura, Mikiko; Shved, Alexander S.; Sarlah, David
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	9.7641 ± 0.0003 Å
b	12.0253 ± 0.0004 Å
c	13.432 ± 0.0004 Å
α	108.779 ± 0.001°
β	108.35 ± 0.001°
γ	98.908 ± 0.001°
Cell volume	1358.44 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 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	0.0392
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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