Crystallography Open Database

Information card for entry 4026403

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Coordinates	4026403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 Cl3 N O4
Calculated formula	C17 H20 Cl3 N O4
Title of publication	Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones
Authors of publication	Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	5149 - 5155
a	11.1507 ± 0.0003 Å
b	5.88417 ± 0.00015 Å
c	27.9019 ± 0.0008 Å
α	90°
β	97.71 ± 0.003°
γ	90°
Cell volume	1814.17 ± 0.09 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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