Information card for entry 1513817

Structure parameters

• Chemical name: HG82D
• Formula: C21 H16 B F4 N3
• Calculated formula: C21 H16 B F4 N3
• Title of publication: One-pot cascade approach to phenanthridine-fused quinazoliniminiums from heteroenyne-allenes.
• Authors of publication: Alawode, Olajide E.; Naganaboina, Vijaya Kumar; Liyanage, Thakshila; Desper, John; Rayat, Sundeep
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 1494 - 1497
• a: 13.1171 ± 0.0008 Å
• b: 13.503 ± 0.0008 Å
• c: 22.5774 ± 0.0013 Å
• α: 95.97 ± 0.003°
• β: 100.719 ± 0.003°
• γ: 115.78 ± 0.003°
• Cell volume: 3459.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No