Information card for entry 7239823

Structure parameters

• Common name: adamantan-1-aminium picrate monohydrate
• Chemical name: adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate
• Formula: C16 H22 N4 O8
• Calculated formula: C16 H22 N4 O8
• Title of publication: Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation
• Authors of publication: Smokrović, Kristina; Stilinovic, Vladimir
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.7841 ± 0.0009 Å
• b: 6.8465 ± 0.0004 Å
• c: 21.4945 ± 0.0014 Å
• α: 90°
• β: 105.996 ± 0.007°
• γ: 90°
• Cell volume: 1808.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No