Information card for entry 7239825

Structure parameters

• Common name: adamantan-1-aminium picrate monohydrate
• Chemical name: adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate
• Formula: C30 H49 N5 O10 S2
• Calculated formula: C30 H49 N5 O10 S2
• 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: 14.2574 ± 0.0009 Å
• b: 17.0725 ± 0.0007 Å
• c: 15.864 ± 0.0009 Å
• α: 90°
• β: 113.279 ± 0.007°
• γ: 90°
• Cell volume: 3547.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No