Information card for entry 7155006

Structure parameters

• Formula: C15 H11 N O
• Calculated formula: C15 H11 N O
• SMILES: [nH]1c2ccccc2cc(c2ccccc2)c1=O
• Title of publication: Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.
• Authors of publication: Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3591 - 3602
• a: 17.859 ± 0.0016 Å
• b: 5.8124 ± 0.0004 Å
• c: 21.742 ± 0.002 Å
• α: 90°
• β: 106.101 ± 0.01°
• γ: 90°
• Cell volume: 2168.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No