Information card for entry 1520404

Structure parameters

• Formula: C15 H24 N2 O2
• Calculated formula: C15 H24 N2 O2
• SMILES: C(C1(CCCCC1)Nc1ccccc1)[NH3+].CC(=O)[O-]
• Title of publication: C15H24N2O2
• Authors of publication: Wirth, Thomas; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 633
• a: 14.477 ± 0.0005 Å
• b: 11.2719 ± 0.0004 Å
• c: 9.0254 ± 0.0003 Å
• α: 90°
• β: 102.352 ± 0.002°
• γ: 90°
• Cell volume: 1438.7 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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 all reflections: 0.155
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No