Crystallography Open Database

Information card for entry 1506568

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Structure parameters

Formula	C6 H11 F2 N O2
Calculated formula	C6 H11 F2 N O2
SMILES	FC1(F)[C@H](O)[C@@H](O)CN[C@@H]1C
Title of publication	Highly stereocontrolled synthesis of gem-difluoromethylenated azasugars: D- and L-1,4,6-trideoxy-4,4-difluoronojirimycin.
Authors of publication	Wang, Ruo-Wen; Qing, Feng-Ling
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	11
Pages of publication	2189 - 2192
a	9.6285 ± 0.0009 Å
b	10.2351 ± 0.0009 Å
c	15.0732 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1485.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0435
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506568.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506568.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506568.cif
50411	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506568 via cif-deposit CGI script.	1506568.cif