Information card for entry 2018467

Structure parameters

• Chemical name: cycloheptylaminium cinnamate
• Formula: C16 H23 N O2
• Calculated formula: C16 H23 N O2
• SMILES: c1(ccccc1)/C=C/C(=O)[O-].C1(CCCCCC1)[NH3+]
• 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: 5.779 ± 0.0004 Å
• b: 11.34 ± 0.0011 Å
• c: 22.751 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1491 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes