Information card for entry 7225452

Structure parameters

• Formula: C32 H52 F N5 O4
• Calculated formula: C32 H52 F N5 O4
• SMILES: c1c(/C=N/O)cccc1/C=N/O.c1(cc(/C=N/O)ccc1)/C=N/O.C(CCC)[N+](CCCC)(CCCC)CCCC.[F-]
• Title of publication: Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime
• Authors of publication: Tarai, Arup; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 29
• Pages of publication: 5482
• a: 20.7631 ± 0.0008 Å
• b: 8.2356 ± 0.0003 Å
• c: 21.9337 ± 0.0008 Å
• α: 90°
• β: 107.378 ± 0.002°
• γ: 90°
• Cell volume: 3579.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1286
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No