Crystallography Open Database

Information card for entry 1549747

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Coordinates	1549747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 Cl3 F20 N P Pd
Calculated formula	C38 H35 Cl3 F20 N P Pd
Title of publication	Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.
Authors of publication	Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	39
Pages of publication	7628 - 7633
a	13.2478 ± 0.0002 Å
b	19.4015 ± 0.0002 Å
c	20.3563 ± 0.0003 Å
α	115.227 ± 0.0006°
β	91.1995 ± 0.0005°
γ	105.389 ± 0.0005°
Cell volume	4509.24 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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