Information card for entry 7155418

Structure parameters

• Chemical name: 13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline
• Formula: C19 H10 F3 N3
• Calculated formula: C19 H10 F3 N3
• SMILES: FC(F)(F)c1ccc2n3c4c5ncccc5ccc4ccc3nc2c1
• Title of publication: Copper(ii) catalyzed synthesis of novel helical luminescent benzo[4,5]imidazo[1,2-a][1,10]phenanthrolines via an intramolecular C-H amination reaction.
• Authors of publication: Borges da Silva, Ramon; Teixeira, Rodolfo Inêz; Wardell, James L.; Wardell, Solange M. S. V.; Garden, Simon J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 812 - 826
• a: 15.7235 ± 0.0004 Å
• b: 7.2386 ± 0.0002 Å
• c: 25.4616 ± 0.0007 Å
• α: 90°
• β: 96.401 ± 0.003°
• γ: 90°
• Cell volume: 2879.87 ± 0.14 ų
• Cell temperature: 100.01 ± 0.1 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: 0.0738
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No