Crystallography Open Database

Information card for entry 7057744

Preview

Coordinates	7057744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N O9
Calculated formula	C14 H19 N O9
Title of publication	Short synthesis, X-ray and conformational analysis of a cyclic peracetylated l-sorbose-derived nitrone, a useful intermediate towards N‒O-containing d-gluco-iminosugars
Authors of publication	Tangara, Salia; Kanazawa, Alice; Fayolle, Martine; Philouze, Christian; Poisson, Jean-François; Behr, Jean-Bernard; Py, Sandrine
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	20
Pages of publication	16735
a	8.8584 ± 0.0018 Å
b	7.6373 ± 0.0015 Å
c	12.517 ± 0.003 Å
α	90°
β	103.91 ± 0.03°
γ	90°
Cell volume	822 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.058
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230358 (current)	2019-11-17	cif/ Updating files of 7057744 Original log message: Adding full bibliography for 7057744.cif.	7057744.cif
211056	2018-09-19	cif/ Adding structures of 7057744 via cif-deposit CGI script.	7057744.cif