Crystallography Open Database

Information card for entry 7135937

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Coordinates	7135937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N
Calculated formula	C20 H19 N
Title of publication	Palladium-catalyzed regioselective hydrofunctionalization of methylenecyclopropanes (MCPs) with azaaryl alcohols as latent C(sp3 )-nucleophiles
Authors of publication	Peng, Hao-Yu; Ji, Shun-Jun; Cai, Zhong-Jian
Journal of publication	Chemical Communications
Year of publication	2026
a	6.0064 ± 0.0002 Å
b	10.9329 ± 0.0004 Å
c	23.1967 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1523.27 ± 0.1 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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