Information card for entry 1505358

Structure parameters

• Chemical name: 2-Aza-14,15-dimethoxy-10-methoxycarbonyltricyclo[10.4.0.0(superscript 3,8)] hexadeca-3(8),10,12,14,16-pentaen-7-one
• Formula: C19 H21 N O5
• Calculated formula: C19 H21 N O5
• SMILES: O=C1C2=C(Nc3cc(OC)c(OC)cc3C=C(C2)C(=O)OC)CCC1
• 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: 9.3008 ± 0.0013 Å
• b: 13.4894 ± 0.0019 Å
• c: 13.871 ± 0.002 Å
• α: 90°
• β: 92.959 ± 0.003°
• γ: 90°
• Cell volume: 1738 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No