Information card for entry 7157567

Structure parameters

• Formula: C25 H19 F N2 O2
• Calculated formula: C25 H19 F N2 O2
• SMILES: O=C1c2nc3c(cc2C(=C1c1ccc(F)cc1)Nc1ccccc1)cc(cc3)C.O
• Title of publication: Synthesis of cyclopentaquinolinone and cyclopentapyridinone from ortho-alkynyl-N-arylaldehyde via superbase-promoted C-N, C-O and C-C bond formation.
• Authors of publication: Saini, Kapil Mohan; Saunthwal, Rakesh K.; Sushmita, ?; Verma, Akhilesh K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 29
• Pages of publication: 5594 - 5601
• a: 6.155 ± 0.0005 Å
• b: 15.283 ± 0.0011 Å
• c: 10.6069 ± 0.0009 Å
• α: 90°
• β: 94.491 ± 0.006°
• γ: 90°
• Cell volume: 994.69 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No