Information card for entry 7239818

Structure parameters

• Common name: adamantan-1-aminium trinitrophloroglucinolate hydrate methanol solvate
• Chemical name: adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate
• Formula: C73 H114 N12 O20
• Calculated formula: C73 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: 18.9589 ± 0.0006 Å
• b: 16.0224 ± 0.0007 Å
• c: 26.5928 ± 0.0013 Å
• α: 90°
• β: 93.164 ± 0.004°
• γ: 90°
• Cell volume: 8065.7 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2384
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.3772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No