Information card for entry 7239815

Structure parameters

• Common name: adamantan-1-aminium trinitrophloroglucinolate hydrate ethanol solvate
• Chemical name: adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate ethanol solvate
• Formula: C74 H114 N12 O20
• Calculated formula: C74 H114 N12 O20
• 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: 18.805 ± 0.005 Å
• b: 15.975 ± 0.004 Å
• c: 27.184 ± 0.006 Å
• α: 90 ± 0.02°
• β: 92.65 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 8158 ± 3 ų
• Cell temperature: 293 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: 0.2689
• Residual factor for significantly intense reflections: 0.1475
• Weighted residual factors for significantly intense reflections: 0.3586
• Weighted residual factors for all reflections included in the refinement: 0.4628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No