Information card for entry 2018468

Structure parameters

• Chemical name: cycloheptylaminium cinnamate
• Formula: C16 H23 N O2
• Calculated formula: C16 H23 N O2
• Title of publication: Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks
• Authors of publication: Lemmerer, Andreas; Fernandes, Manuel A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o188 - o194
• a: 11.4496 ± 0.0002 Å
• b: 6.1011 ± 0.0001 Å
• c: 43.0883 ± 0.0008 Å
• α: 90°
• β: 93.659 ± 0.001°
• γ: 90°
• Cell volume: 3003.8 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes