Information card for entry 7155268

Structure parameters

• Formula: C19.5 H18 N2 O5.5
• Calculated formula: C19.5 H17.5 N2 O5.5
• Title of publication: A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.
• Authors of publication: Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 8998 - 9011
• a: 7.7594 ± 0.0012 Å
• b: 19.459 ± 0.003 Å
• c: 11.8044 ± 0.0019 Å
• α: 90°
• β: 106.142 ± 0.002°
• γ: 90°
• Cell volume: 1712.1 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 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: 0.0552
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No