Information card for entry 7218399

Structure parameters

• Formula: C29 H19 N3 O2
• Calculated formula: C29 H19 N3 O2
• SMILES: c1(cc(c(c2n1c1c(ccc(c1)N(=O)=O)n2)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Construction of Fluorescence-tunable Pyrido-Fused Benzimidazoles via Direct Intramolecular C-H amination under Transition-Metal-Free Conditions
• Authors of publication: Gao, peng; Gong, Weitao; Li, Gang; Hassan, Mehdi; Ning, Guiling; Yu, jingjie
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 7.9933 ± 0.0015 Å
• b: 11.481 ± 0.002 Å
• c: 12.651 ± 0.002 Å
• α: 86.659 ± 0.014°
• β: 72.316 ± 0.013°
• γ: 86.751 ± 0.014°
• Cell volume: 1103.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No