Crystallography Open Database

Information card for entry 4037443

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Coordinates	4037443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 F3 N O6
Calculated formula	C24 H30 F3 N O6
Title of publication	Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.
Authors of publication	Baumann, Marcus; Baxendale, Ian R.
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	23
Pages of publication	11898 - 11908
a	19.8948 ± 0.0009 Å
b	9.9946 ± 0.0005 Å
c	23.9226 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4756.8 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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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