Information card for entry 2229010

Structure parameters

• Common name: Cinnarizinium dipicrate
• Chemical name: 1-diphenylmethyl-4-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium bis(2,4,6-trinitrophenolate)
• Formula: C38 H34 N8 O14
• Calculated formula: C38 H34 N8 O14
• Title of publication: Cinnarizinium dipicrate
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Chidan Kumar, C. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o500 - o501
• a: 15.1987 ± 0.0002 Å
• b: 10.0913 ± 0.00017 Å
• c: 25.0724 ± 0.0003 Å
• α: 90°
• β: 95.917 ± 0.0014°
• γ: 90°
• Cell volume: 3824.98 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2707
• Weighted residual factors for all reflections included in the refinement: 0.2891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes