Information card for entry 1520341

Structure parameters

• Formula: C18 H19 N O3
• Calculated formula: C18 H19 N O3
• SMILES: C1(=O)C(=O)C(=C1/C=C/1C(c2c(cccc2)N1C)(C)C)OCC
• Title of publication: C18H19NO3
• Authors of publication: Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1247
• a: 7.2314 ± 0.0002 Å
• b: 9.476 ± 0.0003 Å
• c: 11.6165 ± 0.0004 Å
• α: 82.094 ± 0.002°
• β: 82.082 ± 0.002°
• γ: 78.631 ± 0.002°
• Cell volume: 767.95 ± 0.04 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: 0.0673
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1189
• 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