Information card for entry 7119542

Structure parameters

• Formula: C18 H16 B F4 N
• Calculated formula: C18 H16 B F4 N
• Title of publication: Facile one-pot synthesis of 2,3-dihydro-1H-indolizinium derivatives by rhodium(iii)-catalyzed intramolecular oxidative annulation via C-H activation: application to ficuseptine synthesis.
• Authors of publication: Upadhyay, Nitinkumar Satyadev; Jayakumar, Jayachandran; Cheng, Chien-Hong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 2491 - 2494
• a: 20.2206 ± 0.0011 Å
• b: 9.2842 ± 0.0005 Å
• c: 8.5994 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.38 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No