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Information card for entry 2214305
Preview
Coordinates | 2214305.cif |
---|---|
Structure factors | 2214305.hkl |
Original IUCr paper | HTML |
Common name | (R)-pantolactone-O,O'-diacetyl-(R,R)-hydrogentartrate monohydrate O,O'-diacetyl-(R,R)-hydrogentartrate-(R)-3,3-dimethylbutyrolakton-2-yl monohydrate O,O'-diacetyl-(R,R)-hydrogentartrate ester of (R)-pantolactone monohydrate |
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Chemical name | (1R,2R)-1-carboxy-2-[(3R)-4,4-dimethyl-2-oxotetrahydrofuran-3- yloxycarbonyl]ethane-1,2-diyl diacetate monohydrate |
Formula | C14 H20 O11 |
Calculated formula | C14 H20 O11 |
Title of publication | The <i>O</i>,<i>O</i>'-diacetyl (<i>R</i>,<i>R</i>)-hydrogentartrate ester of (<i>R</i>)-pantolactone monohydrate |
Authors of publication | Zachara, Janusz; Madura, Izabela D.; Bernaś, Urszula; Synoradzki, Ludwik |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 7 |
Pages of publication | o3210 - o3210 |
a | 8.2882 ± 0.0015 Å |
b | 12.905 ± 0.003 Å |
c | 16.544 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1769.5 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0361 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 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.
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