Information card for entry 2010221

Structure parameters

• Formula: C18 H28 N2 O5
• Calculated formula: C18 H28 N2 O5
• 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: 5.558 ± 0.002 Å
• b: 46.03 ± 0.02 Å
• c: 7.418 ± 0.003 Å
• α: 90°
• β: 106.82 ± 0.04°
• γ: 90°
• Cell volume: 1816.6 ± 1.3 ų
• Cell temperature: 295 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 significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No