Information card for entry 7056767

Structure parameters

• Formula: C28 H0 N4
• Calculated formula: C28 H20 N4
• SMILES: c1(c2c3ccccc3CCc2nc2c1c(C)nn2c1ccccc1)c1ccc(cc1)C#N
• Title of publication: SnCl2-catalyzed synthesis of dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline and dihydroindeno[2,1-b]pyrazolo[4,3-e]pyridine with high fluorescence and their photophysical properties
• Authors of publication: Manickam, Saravanakumar; Balijapalli, Umamahesh; Sathiyanarayanan, Kulathu Iyer
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 860
• a: 7.3474 ± 0.0003 Å
• b: 8.9699 ± 0.0004 Å
• c: 16.5075 ± 0.0007 Å
• α: 95.021 ± 0.003°
• β: 95.805 ± 0.002°
• γ: 91.637 ± 0.002°
• Cell volume: 1077.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.106
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No