Information card for entry 7155125

Structure parameters

• Formula: C15 H8 F N O2
• Calculated formula: C15 H8 F N O2
• SMILES: O=C1c2c3c(oc2c2cc(ccc2N1)F)cccc3
• Title of publication: Cs2CO3 as a source of carbonyl and ethereal oxygen in a Cu-catalysed cascade synthesis of benzofuran [3,2-c] quinolin-6[5-H]ones.
• Authors of publication: Ali, Wajid; Modi, Anju; Behera, Ahalya; Mohanta, Prakash Ranjan; Patel, Bhisma K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 25
• Pages of publication: 5940 - 5944
• a: 5.4675 ± 0.0003 Å
• b: 9.3791 ± 0.0007 Å
• c: 11.1931 ± 0.0009 Å
• α: 84.624 ± 0.005°
• β: 79.858 ± 0.004°
• γ: 82.835 ± 0.004°
• Cell volume: 559.09 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1528
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No