Information card for entry 7153231

Structure parameters

• Formula: C19 H16 N2 O
• Calculated formula: C19 H16 N2 O
• SMILES: c12ccccc1n(C)c1c(c3ccccc3n1c2=O)CC=C
• Title of publication: Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.
• Authors of publication: Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 442 - 450
• a: 11.332 ± 0.003 Å
• b: 17.217 ± 0.004 Å
• c: 7.5306 ± 0.0019 Å
• α: 90°
• β: 107.218 ± 0.007°
• γ: 90°
• Cell volume: 1403.4 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No