Information card for entry 1505359

Structure parameters

• Chemical name: 2-Aza-10-methoxycarbonyltricyclo[10.3.0.0(superscript 3,8)] pentadeca-1(12),3,5,7,9-pentaen-13-one
• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• SMILES: N1c2ccccc2C=C(CC2=C1CCC2=O)C(=O)OC
• 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: 28.377 ± 0.005 Å
• b: 7.1394 ± 0.0012 Å
• c: 15.034 ± 0.003 Å
• α: 90°
• β: 121.081 ± 0.002°
• γ: 90°
• Cell volume: 2608.5 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No