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Information card for entry 2017464
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2017464.cif |
---|---|
Structure factors | 2017464.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>R</i>)-2-methylpiperazinediium bis[hydrogen (2<i>S</i>,3<i>S</i>)-tartrate] monohydrate |
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Formula | C13 H26 N2 O13 |
Calculated formula | C13 H26 N2 O13 |
SMILES | [NH2+]1CC[NH2+][C@@H](C1)C.O[C@@H]([C@H](O)C(=O)O)C(=O)[O-].O[C@H](C(=O)O)[C@H](O)C(=O)[O-].O |
Title of publication | A pair of diastereomeric 1:2 salts of (<i>R</i>)- and (<i>S</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid |
Authors of publication | Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 1 |
Pages of publication | o20 - o24 |
a | 7.5571 ± 0.0002 Å |
b | 7.7903 ± 0.0003 Å |
c | 29.8324 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1756.3 ± 0.09 Å3 |
Cell temperature | 108 K |
Ambient diffraction temperature | 108 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 | 0.0257 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0622 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017464.html
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Users of the data should acknowledge the original authors of the
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