Information card for entry 1519802

Structure parameters

• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: c12ccccc1C(=C1CCCCC1)C(=O)N2
• Title of publication: C14H15NO
• Authors of publication: Spencer, John; Male, Louise; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 351
• a: 5.3732 ± 0.0001 Å
• b: 13.4962 ± 0.0004 Å
• c: 15.8088 ± 0.0005 Å
• α: 95.389 ± 0.001°
• β: 98.498 ± 0.002°
• γ: 101.201 ± 0.002°
• Cell volume: 1103.32 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.094
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No