Information card for entry 7157670

Structure parameters

• Formula: C27 H28 N4
• Calculated formula: C27 H28 N4
• Title of publication: L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.
• Authors of publication: Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 33
• Pages of publication: 6514 - 6518
• a: 13.786 ± 0.005 Å
• b: 13.94 ± 0.005 Å
• c: 12.043 ± 0.005 Å
• α: 90°
• β: 95.844 ± 0.005°
• γ: 90°
• Cell volume: 2302.4 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1539
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No