Information card for entry 7239819

Structure parameters

• Common name: adamantan-1-aminium dihydrogentrinitrophloroglucinolate
• Chemical name: adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate)
• Formula: C16 H20 N4 O9
• Calculated formula: C16 H20 N4 O9
• 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: 11.1478 ± 0.0003 Å
• b: 22.3581 ± 0.0008 Å
• c: 29.9866 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7474 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No