Crystallography Open Database

Information card for entry 7156970

Preview

Coordinates	7156970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H19 Cl N O4
Calculated formula	C10 H19 Cl N O4
Title of publication	Synthesis and glycosidase inhibition of conformationally locked DNJ and DMJ derivatives exploiting a 2-oxo-C-allyl iminosugar.
Authors of publication	Foucart, Quentin; Shimadate, Yuna; Marrot, Jérôme; Kato, Atsushi; Désiré, Jérôme; Blériot, Yves
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	30
Pages of publication	7204 - 7214
a	7.9383 ± 0.0002 Å
b	8.9382 ± 0.0002 Å
c	16.392 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1163.08 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225226 (current)	2019-11-08	cif/ Updating files of 7156970 Original log message: Adding full bibliography for 7156970.cif.	7156970.cif
216998	2019-07-13	cif/ Adding structures of 7156970 via cif-deposit CGI script.	7156970.cif