Information card for entry 1505357

Structure parameters

• Chemical name: 2-Aza-5,5-dimethyl-10-ethoxycarbonyltricyclo[10.4.0.0(superscript 3,8)] hexadeca-3(8),10,12,14,16-pentaen-7-one
• Formula: C24 H31 N O5
• Calculated formula: C24 H31 N O5
• SMILES: O=C1C2=C(Nc3ccccc3C=C(C2)C(=O)OCC)CC(C1)(C)C.O=C(OCC)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: 8.7778 ± 0.0004 Å
• b: 14.5771 ± 0.0006 Å
• c: 18.0574 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2310.53 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No