Information card for entry 2235261

Structure parameters

• Common name: Cinnarizinium picrate
• Chemical name: Cinnarizinium picrate
• Formula: C32 H31 N5 O7
• Calculated formula: C32 H31 N5 O7
• SMILES: c1(ccccc1)C(c1ccccc1)N1CC[NH+](CC1)C/C=C/c1ccccc1.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Cinnarizinium picrate
• Authors of publication: Song, Yanxi; Chidan Kumar, C. S.; Nethravathi, G. B.; Naveen, S.; Li, Hongqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1747
• a: 14.5906 ± 0.0019 Å
• b: 12.772 ± 0.0017 Å
• c: 16.441 ± 0.002 Å
• α: 90°
• β: 103.114 ± 0.002°
• γ: 90°
• Cell volume: 2983.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes