Crystallography Open Database

Information card for entry 4022197

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Coordinates	4022197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Cl2 F3 N O3
Calculated formula	C23 H28 Cl2 F3 N O3
Title of publication	Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization
Authors of publication	Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	9751 - 9764
a	12.8271 ± 0.0018 Å
b	6.678 ± 0.0007 Å
c	15.6221 ± 0.0018 Å
α	90°
β	113.549 ± 0.008°
γ	90°
Cell volume	1226.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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