Crystallography Open Database

Information card for entry 7114098

Preview

Coordinates	7114098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 N O8
Calculated formula	C16 H24.375 N O8
Title of publication	Divergent approach to imino sugar C-glycosides using imino glycals: application to the stereocontrolled synthesis of (+)-deoxoprosophylline
Authors of publication	Dransfield, Paul J.; Gore, Paul M.; Shipman, Michael; Slawin, Alexandra M. Z.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	2
Pages of publication	150
a	8.8915 ± 0.0004 Å
b	9.2151 ± 0.0003 Å
c	45.8131 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3753.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0748
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180254 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/40.	7114098.cif
116558	2014-06-13	cif/ Adding structures of 7114098 via cif-deposit CGI script.	7114098.cif