Information card for entry 1505360

Structure parameters

• Chemical name: 2-Aza-19,19-dimethyl-14-methoxycarbonyltetracyclo[14.4.0.0(superscript 3,12). 0(superscript 4,9)]eicosa-1(16),3,5,7,9,11,13-heptaen-17-one
• Formula: C23 H23 N O3
• Calculated formula: C23 H23 N O3
• SMILES: O=C1C2=C(Nc3c4ccccc4ccc3C=C(C2)C(=O)OC)CC(C1)(C)C
• Title of publication: The Baylis-Hillman acetates as a valuable source for one-pot multistep synthesis: a facile synthesis of functionalized tri-/tetracyclic frameworks containing azocine moiety.
• Authors of publication: Basavaiah, Deevi; Aravindu, Kunche
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2453 - 2456
• a: 11.06 ± 0.002 Å
• b: 13.996 ± 0.003 Å
• c: 13.578 ± 0.003 Å
• α: 90°
• β: 112.323 ± 0.003°
• γ: 90°
• Cell volume: 1944.3 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0999
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No