Information card for entry 7213301

Structure parameters

• Formula: C19 H20 N2 O2
• Calculated formula: C19 H20 N2 O2
• SMILES: O=C1Nc2c(c3cc(n4CCCC(C1)(c34)CC)C=O)cccc2
• Title of publication: Convergent synthesis and preliminary biological evaluation of (±)-B-norrhazinal †
• Authors of publication: Banwell, Martin; Edwards, Alison; Smith, Jason; Hamel, Ernest; Verdier-Pinard, Pascal
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1497
• a: 10.04 ± 0.001 Å
• b: 12.331 ± 0.001 Å
• c: 12.675 ± 0.001 Å
• α: 90°
• β: 99.651 ± 0.007°
• γ: 90°
• Cell volume: 1547 ± 0.2 ų
• Cell temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections: 1.393
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No