Information card for entry 2216725

Structure parameters

• Chemical name: Desipraminium picrate
• Formula: C24 H25 N5 O7
• Calculated formula: C24 H25 N5 O7
• SMILES: N1(CCC[NH2+]C)c2c(cccc2)CCc2c1cccc2.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: Desipraminium picrate
• Authors of publication: Swamy, M. T.; Ashok, M. A.; Yathirajan, H. S.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4919 - o4919
• a: 31.3356 ± 0.0017 Å
• b: 6.7952 ± 0.0003 Å
• c: 24.31 ± 0.0013 Å
• α: 90°
• β: 113.542 ± 0.004°
• γ: 90°
• Cell volume: 4745.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes