Information card for entry 2225619

Structure parameters

• Chemical name: Potassium (1-methoxycarbonyl-2-methylprop-2-en-2-ylidene)azinate
• Formula: C6 H8 K N O4
• Calculated formula: C6 H8 K N O4
• SMILES: [K+].O=N([O-])=C(C(=O)OC)C(=C)C
• Title of publication: Potassium (1-methoxycarbonyl-2-methylprop-2-en-2-ylidene)azinate
• Authors of publication: Reuter, Cédric; Neudörfl, Jörg M.; Schmalz, Hans-Günther
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m461
• a: 23.9269 ± 0.0013 Å
• b: 5.2909 ± 0.0002 Å
• c: 14.251 ± 0.0007 Å
• α: 90°
• β: 113.361 ± 0.002°
• γ: 90°
• Cell volume: 1656.21 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes