Information card for entry 4032487

Structure parameters

• Formula: C19 H12 N2
• Calculated formula: C19 H12 N2
• SMILES: n1c(c2n3c(ccc2)c2ccccc2c13)c1ccccc1
• Title of publication: General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.
• Authors of publication: Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 5046 - 5067
• a: 12.6062 ± 0.0008 Å
• b: 15.8957 ± 0.001 Å
• c: 6.5668 ± 0.0004 Å
• α: 90°
• β: 99.593 ± 0.003°
• γ: 90°
• Cell volume: 1297.48 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No