Crystallography Open Database

Information card for entry 2003752

2003751 << 2003752 >> 2003753

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Original IUCr paper	HTML

Structure parameters

Common name	1-Methylimidazolium D-Tartrate
Chemical name	1-Methylimidazolium D-Tartrate
Formula	C8 H12 N2 O6
Calculated formula	C8 H12 N2 O6
SMILES	O[C@H](C(=O)[O-])[C@H](O)C(=O)O.n1(c[nH+]cc1)C
Title of publication	The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate
Authors of publication	Fuller, J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	8
Pages of publication	1680 - 1683
a	7.609 ± 0.002 Å
b	7.587 ± 0.002 Å
c	9.414 ± 0.002 Å
α	90°
β	105.24 ± 0.03°
γ	90°
Cell volume	524.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0584
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for all reflections	0.1245
Weighted residual factors for significantly intense reflections	0.1095
Goodness-of-fit parameter for all reflections	1.07
Goodness-of-fit parameter for significantly intense reflections	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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