Information card for entry 2011027

Structure parameters

• Chemical name: trans-cyclohexane-1,2-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]
• Formula: C24 H28 N4 O8
• Calculated formula: C24 H28 N4 O8
• Title of publication: 1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)
• Authors of publication: Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e260 - e261
• a: 26.919 ± 0.004 Å
• b: 7.572 ± 0.003 Å
• c: 11.966 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439 ± 1.2 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes