Information card for entry 4035769

Structure parameters

• Formula: C19 H12 N4
• Calculated formula: C19 H12 N4
• SMILES: n12c3c(nc4c(c3nc2cccc1)cccc4)c1ccncc1
• Title of publication: Detection of Lysosome by a Fluorescent Heterocycle: Development of Fused Pyrido-Imidazo-Indole Framework via Cu-Catalyzed Tandem N-Arylation.
• Authors of publication: Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, Kadaiahgari; Ghosh, Saswati; Mukherjee, Kaustuv; Mandal, Chitra
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 21
• Pages of publication: 13011 - 13018
• a: 7.64 ± 0.003 Å
• b: 8.93 ± 0.004 Å
• c: 11.458 ± 0.005 Å
• α: 72.751 ± 0.004°
• β: 75.543 ± 0.005°
• γ: 79.079 ± 0.005°
• Cell volume: 717.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0767
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No