Information card for entry 7155002

Structure parameters

• Common name: pyrido[1,2,a]indole
• Chemical name: (4-fluorophenyl)(10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl)methanone
• Formula: C25 H15 F2 N O
• Calculated formula: C25 H15 F2 N O
• SMILES: O=C(c1ccc(F)cc1)c1c2n(c3c(c2c2c(cccc2)F)cccc3)ccc1
• Title of publication: Rhodium-catalyzed pyridannulation of indoles with diazoenals: a direct approach to pyrido[1,2-a]indoles.
• Authors of publication: Dawande, Sudam Ganpat; Lad, Bapurao Sudam; Prajapati, Sunitkumar; Katukojvala, Sreenivas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 5569 - 5573
• a: 9.3775 ± 0.0007 Å
• b: 11.0241 ± 0.0008 Å
• c: 9.5231 ± 0.0006 Å
• α: 90°
• β: 110.422 ± 0.004°
• γ: 90°
• Cell volume: 922.61 ± 0.11 ų
• Ambient diffraction temperature: 296.15 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: 0.0639
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1402
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No