Crystallography Open Database

Information card for entry 7153521

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Coordinates	7153521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H21 N O4 S
Calculated formula	C14 H21 N O4 S
Title of publication	Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones
Authors of publication	Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2004
Journal volume	2
Journal issue	20
Pages of publication	2932 - 2934
a	21.0458 ± 0.0009 Å
b	5.9725 ± 0.0002 Å
c	13.3797 ± 0.0007 Å
α	90°
β	110.221 ± 0.002°
γ	90°
Cell volume	1578.12 ± 0.12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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