Information card for entry 7155269

Structure parameters

• Formula: C24 H26 N4 O4
• Calculated formula: C24 H26 N4 O4
• SMILES: OC12N(c3c(C2=O)cccc3)C(=O)c2c(N(CC1)C(=O)NCCCC)cccc2.N#CC
• 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: 10.843 ± 0.003 Å
• b: 19.28 ± 0.005 Å
• c: 11.337 ± 0.004 Å
• α: 90°
• β: 111.215 ± 0.005°
• γ: 90°
• Cell volume: 2209.4 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0975
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No