Information card for entry 2010220

Structure parameters

• Formula: C24 H36 N2 O6
• Calculated formula: C24 H36 N2 O6
• Title of publication: Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate
• Authors of publication: Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1741 - 1745
• a: 8.098 ± 0.001 Å
• b: 9.929 ± 0.002 Å
• c: 7.515 ± 0.003 Å
• α: 92.65 ± 0.02°
• β: 94.56 ± 0.02°
• γ: 96.37 ± 0.02°
• Cell volume: 597.7 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No