Information card for entry 7225451

Structure parameters

• Formula: C32 H51 N5 O4
• Calculated formula: C32 H51 N5 O4
• SMILES: c1c(/C=N/O)cccc1/C=N/O.c1c(/C=N/[O-])cccc1/C=N/O.C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 8.3025 ± 0.0003 Å
• b: 13.6899 ± 0.0006 Å
• c: 15.9951 ± 0.0007 Å
• α: 90.908 ± 0.003°
• β: 99.985 ± 0.003°
• γ: 104.369 ± 0.003°
• Cell volume: 1731.16 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No