Information card for entry 4037100

Structure parameters

• Formula: C22 H13 F6 N
• Calculated formula: C22 H13 F6 N
• Title of publication: Selective Synthesis of N-Unsubstituted and N-Arylindoles by the Reaction of Arynes with Azirines.
• Authors of publication: Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Jain, Shailja; Gonnade, Rajesh G.; Biju, Akkattu T.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8604 - 8611
• a: 7.8272 ± 0.0004 Å
• b: 10.8142 ± 0.0005 Å
• c: 11.7984 ± 0.0005 Å
• α: 115.263 ± 0.002°
• β: 91.231 ± 0.003°
• γ: 91.976 ± 0.003°
• Cell volume: 901.9 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No