Information card for entry 7050463

Structure parameters

• Common name: Dioxane solvate of 5-Nitrosalicylic acid
• Chemical name: Dioxane solvate of 5-Nitrosalicylic acid
• Formula: C9 H9 N O6
• Calculated formula: C9 H9 N O6
• Title of publication: Supramolecular synthesis of brick wall and honeycomb networks from the T-shaped molecule 5-nitrosalicylic acid
• Authors of publication: Senthil Kumar, V. S.; Nangia, Ashwini; Kirchner, Michael T.; Boese, Roland
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 224
• a: 5.3656 ± 0.0011 Å
• b: 22.995 ± 0.005 Å
• c: 7.9984 ± 0.0016 Å
• α: 90°
• β: 90.79 ± 0.03°
• γ: 90°
• Cell volume: 986.8 ± 0.4 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 all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No