Information card for entry 7160100

Structure parameters

• Formula: C23 H23 F N2 O2
• Calculated formula: C23 H23 F N2 O2
• Title of publication: New routes towards azomethine ylide generation from prolines to synthesize diverse N-heterocycles: a DFT supported endo-selective mechanism
• Authors of publication: Laha, Radha M.; Aich, Shobhon; Sarkar, Ankan Kumar; Dutta, Tanmoy; Ghosh, Narendra Nath; Khamarui, Saikat; Maiti, Dilip K.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 36
• Pages of publication: 7411 - 7424
• a: 19.48 ± 0.02 Å
• b: 5.587 ± 0.005 Å
• c: 18.462 ± 0.017 Å
• α: 90°
• β: 101.83 ± 0.03°
• γ: 90°
• Cell volume: 1967 ± 3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2871
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No