Information card for entry 4027426

Structure parameters

• Formula: C2 H4 K2 N2 O5
• Calculated formula: C2 H4 K2 N2 O5
• SMILES: [K+].[K+].C(N([O-])N=O)C(=O)[O-].O
• Title of publication: E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions
• Authors of publication: Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7313 - 7318
• a: 7.96 ± 0.0005 Å
• b: 13.3679 ± 0.0008 Å
• c: 7.1314 ± 0.0005 Å
• α: 90°
• β: 110.789 ± 0.001°
• γ: 90°
• Cell volume: 709.44 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No