Information card for entry 7245731

Structure parameters

• Formula: C17 H14 N4 O
• Calculated formula: C17 H14 N4 O
• Title of publication: Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions
• Authors of publication: Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 30712 - 30721
• a: 10.9221 ± 0.0011 Å
• b: 11.2501 ± 0.0011 Å
• c: 12.3823 ± 0.0011 Å
• α: 90°
• β: 112.92 ± 0.003°
• γ: 90°
• Cell volume: 1401.4 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No