Information card for entry 7155536

Structure parameters

• Formula: C23 H20 N2
• Calculated formula: C23 H20 N2
• SMILES: n12c3c4c(c5c(c3nc1cccc2)cccc5)ccc(c4)C(C)(C)C
• Title of publication: Expedient Synthesis of Phenanthro-Imidazo-Pyridine Fused Heteropolynuclear Framework via CDC coupling: A New Class of Luminophores
• Authors of publication: Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, K.; Bera, Suvankar; Mazumder, Leena; Prodhan, Chandraday; Chaudhuri, Keya
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 12.5546 ± 0.0016 Å
• b: 13.421 ± 0.0018 Å
• c: 17.44 ± 0.002 Å
• α: 95.959 ± 0.007°
• β: 103.802 ± 0.007°
• γ: 108.371 ± 0.007°
• Cell volume: 2656.7 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No