Information card for entry 1501602

Structure parameters

• Common name: EB7721
• Formula: C14 H10 F N
• Calculated formula: C14 H10 F N
• Title of publication: Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles.
• Authors of publication: Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5592 - 5595
• a: 8.2094 ± 0.0019 Å
• b: 21.264 ± 0.005 Å
• c: 5.9988 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1047.2 ± 0.4 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No