Information card for entry 7238879

Structure parameters

• Formula: C28 H20 F3 N3 O
• Calculated formula: C28 H20 F3 N3 O
• Title of publication: l-Proline-catalyzed three-component domino reactions in the regioselective synthesis of novel densely functionalized pyrazolo[3,4-b]pyridines
• Authors of publication: Gunasekaran, Pethaiah; Indumathi, Sethuraman; Perumal, Subbu
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 22
• Pages of publication: 8318
• a: 16.8695 ± 0.0014 Å
• b: 10.4525 ± 0.0008 Å
• c: 27.352 ± 0.003 Å
• α: 90°
• β: 103.47 ± 0.005°
• γ: 90°
• Cell volume: 4690.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No