Information card for entry 2226003

Structure parameters

• Chemical name: Bis[4-(4-chlorophenyl)-4-hydroxypiperidinium] dipicrate dimethyl sulfoxide solvate
• Formula: C36 H40 Cl2 N8 O17 S
• Calculated formula: C36 H40 Cl2 N8 O17 S
• SMILES: Clc1ccc(cc1)C1(O)CC[NH2+]CC1.Clc1ccc(cc1)C1(O)CC[NH2+]CC1.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.S(=O)(C)C
• Title of publication: Bis[4-(4-chlorophenyl)-4-hydroxypiperidinium] dipicrate dimethyl sulfoxide solvate
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1212 - o1213
• a: 8.9207 ± 0.0004 Å
• b: 18.123 ± 0.0009 Å
• c: 12.9886 ± 0.0006 Å
• α: 90°
• β: 98.43 ± 0.001°
• γ: 90°
• Cell volume: 2077.18 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes