Information card for entry 7239816

Structure parameters

• Common name: adamantan-1-aminium hydrogentrinitrophloroglucinolate tetrahydrofurane solvate
• Chemical name: adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) tetrahydrofurane solvate
• Formula: C34 H53 N5 O11
• Calculated formula: C34 H53 N5 O11
• 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: 14.445 ± 0.005 Å
• b: 17.013 ± 0.0019 Å
• c: 15.845 ± 0.004 Å
• α: 90°
• β: 108.81 ± 0.04°
• γ: 90°
• Cell volume: 3686 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.3257
• Residual factor for significantly intense reflections: 0.1303
• Weighted residual factors for significantly intense reflections: 0.2939
• Weighted residual factors for all reflections included in the refinement: 0.3522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No