Information card for entry 7239962

Structure parameters

• Formula: C19 H12 F N3
• Calculated formula: C19 H12 F N3
• SMILES: Fc1cc2nc3n(c2cc1)c(c1ccccc1)cn1c3ccc1
• Title of publication: Facile approach to benzo[d]imidazole-pyrrolo[1,2-a]pyrazine hybrid structures through double cyclodehydration and aromatization and their unique optical properties with blue emission
• Authors of publication: Bae, Gi Hun; Kim, Suzi; Lee, Na Keum; Dagar, Anuradha; Lee, Jeong Hwa; Lee, Jeeyeon; Kim, Ikyon
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 7265 - 7288
• a: 10.5685 ± 0.0006 Å
• b: 8.4986 ± 0.0006 Å
• c: 16.7749 ± 0.0014 Å
• α: 90°
• β: 96.93 ± 0.006°
• γ: 90°
• Cell volume: 1495.67 ± 0.19 ų
• Cell temperature: 292.08 ± 0.1 K
• Ambient diffraction temperature: 292.08 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No