Information card for entry 7160161

Structure parameters

• Formula: C22 H15 N5 O
• Calculated formula: C22 H15 N5 O
• Title of publication: L-Proline catalyzed multi-component synthesis of <i>N</i>-pyridyl-tetrahydroisoquinolines and their α-C(sp³)-H oxygenation.
• Authors of publication: Boruah, Aditi; Deb, Mohit L.; Thakuria, Ranjit; Baruah, Pranjal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• a: 13.34 ± 0.006 Å
• b: 7.845 ± 0.004 Å
• c: 22.448 ± 0.008 Å
• α: 90°
• β: 119.39 ± 0.02°
• γ: 90°
• Cell volume: 2046.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1723
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No