Crystallography Open Database

Information card for entry 2242311

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Structure parameters

Chemical name	1-Deoxy-1-(<i>N</i>-methyl-<i>p</i>-methoxyphenylamino)-<i>D</i>-fructose
Formula	C14 H21 N O6
Calculated formula	C14 H21 N O6
SMILES	N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)(c1ccc(OC)cc1)C
Title of publication	Crystal structure of the acyclic form of 1-deoxy-1-[(4-methoxyphenyl)(methyl)amino]-<small>D</small>-fructose
Authors of publication	Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	2
Pages of publication	127 - 132
a	10.8002 ± 0.0015 Å
b	5.1439 ± 0.0007 Å
c	13.3931 ± 0.0019 Å
α	90°
β	98.382 ± 0.001°
γ	90°
Cell volume	736.11 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0346
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205164 (current)	2018-01-13	cif/ hkl/ Adding structures of 2242311 via cif-deposit CGI script.	2242311.cif 2242311.hkl