Information card for entry 4024949

Structure parameters

• Formula: C21 H17 F N2
• Calculated formula: C21 H17 F N2
• SMILES: Fc1ccc(N2C3N(c4ccccc4c4ccccc34)CC2)cc1
• Title of publication: Fine Tuning Reactivity: Synthesis and Isolation of 1,2,3,12b-Tetrahydroimidazo[1,2-f]phenanthridines
• Authors of publication: Craig J. Richmond; Roslyn M. Eadie; Alexis D. C. Parenty; Leroy Cronin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8196 - 8202
• a: 7.8862 ± 0.0002 Å
• b: 39.4824 ± 0.0012 Å
• c: 10.0829 ± 0.0003 Å
• α: 90°
• β: 93.878 ± 0.002°
• γ: 90°
• Cell volume: 3132.29 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No