Information card for entry 4027132

Structure parameters

• Formula: C30 H26 N4 O2
• Calculated formula: C30 H26 N4 O2
• SMILES: o1c2cc(N(CC)CC)ccc2c2c(c1=O)c(nc1n(nc(c21)c1ccccc1)c1ccccc1)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: 10.157 ± 0.003 Å
• b: 10.67 ± 0.003 Å
• c: 11.257 ± 0.003 Å
• α: 103.417 ± 0.008°
• β: 93.162 ± 0.006°
• γ: 90.024 ± 0.005°
• Cell volume: 1184.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No