Information card for entry 4032524

Structure parameters

• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• SMILES: OCc1cc2c(cc1)c1n3c2cccc3cn1
• 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: 13.3138 ± 0.0014 Å
• b: 18.7196 ± 0.0019 Å
• c: 4.0464 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1008.48 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No