Information card for entry 4027128

Structure parameters

• Formula: C24 H22 N4 O2
• Calculated formula: C24 H22 N4 O2
• SMILES: O1C(=O)c2cc3c(nn(c4ccccc4)c3nc2c2c1cc(N(CC)CC)cc2)C
• Title of publication: Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character
• Authors of publication: Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3475 - 3482
• a: 6.4584 ± 0.0013 Å
• b: 20.649 ± 0.004 Å
• c: 15.101 ± 0.003 Å
• α: 90°
• β: 101.92 ± 0.03°
• γ: 90°
• Cell volume: 1970.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1003
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No