Information card for entry 7155005

Structure parameters

• Formula: C29 H28 N O4 P
• Calculated formula: C29 H28 N O4 P
• SMILES: P1(=O)(O/C(=C(c2ccccc2)\c2nc3c(cc2C)cccc3)c2ccccc2)OCC(CO1)(C)C
• 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: 10.479 ± 0.0009 Å
• b: 10.8907 ± 0.0009 Å
• c: 12.8985 ± 0.0009 Å
• α: 68.115 ± 0.007°
• β: 68.507 ± 0.007°
• γ: 89.099 ± 0.007°
• Cell volume: 1258.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No