Information card for entry 8106790

Structure parameters

• Formula: C15 H23 N3 O7
• Calculated formula: C15 H23 N3 O7
• Title of publication: Crystal structure of tetraethylammonium 3,5-dinitrosalicylate, C15H23N3O7
• Authors of publication: Schutte-Smith, Marietjie; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 77 - 79
• a: 11.477 ± 0.003 Å
• b: 6.858 ± 0.001 Å
• c: 21.254 ± 0.005 Å
• α: 90°
• β: 92.96 ± 0.01°
• γ: 90°
• Cell volume: 1670.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No