Information card for entry 7239817

Structure parameters

• Common name: adamantan-1-aminium trinitrophloroglucinolate hydrate
• Chemical name: adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate
• Formula: C36 H54 N6 O11
• Calculated formula: C36 H54 N6 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: 14.4004 ± 0.0012 Å
• b: 16.1041 ± 0.0009 Å
• c: 18.7528 ± 0.001 Å
• α: 90°
• β: 105.42 ± 0.007°
• γ: 90°
• Cell volume: 4192.3 ± 0.5 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: 0.2051
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.3129
• Weighted residual factors for all reflections included in the refinement: 0.3805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No