Information card for entry 7153585

Structure parameters

• Chemical name: 8-Acetyl-1-aza-2-Methoxy-7-methylbicyclo[4.3.0]nona-2,4,6,8-tetraene
• Formula: C12 H13 N O2
• Calculated formula: C12 H13 N O2
• SMILES: n12c(c(c(c2)C(=O)C)C)cccc1OC
• Title of publication: Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.
• Authors of publication: Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 1551 - 1555
• a: 14.886 ± 0.004 Å
• b: 8.048 ± 0.002 Å
• c: 17.59 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2107.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No