Crystallography Open Database

Information card for entry 7156273

Preview

Coordinates	7156273.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(1S,2S,3S,4S,5S*)-6-butyl-5-(hydroxymethyl)-6-azabicyclo[3.2.0]heptane-2,3,4-triol
Formula	C15 H15 N O4
Calculated formula	C15 H15 N O4
Title of publication	Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.
Authors of publication	Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	25
Pages of publication	4688 - 4700
a	6.2246 ± 0.0002 Å
b	26.4216 ± 0.0012 Å
c	8.1454 ± 0.0004 Å
α	90°
β	93.774 ± 0.003°
γ	90°
Cell volume	1336.72 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2406
Weighted residual factors for all reflections included in the refinement	0.2501
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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