Information card for entry 7208891

Structure parameters

• Formula: C6 H2 K2 O4
• Calculated formula: C6 H2 K2 O4
• SMILES: C1(=CC(=O)C([O-])=CC1=O)[O-].[K+].[K+]
• Title of publication: Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization
• Authors of publication: Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 135
• a: 3.9251 ± 0.0001 Å
• b: 11.2358 ± 0.0003 Å
• c: 8.3337 ± 0.0002 Å
• α: 90°
• β: 102.757 ± 0.003°
• γ: 90°
• Cell volume: 358.457 ± 0.016 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No