Information card for entry 4034217

Structure parameters

• Formula: C26 H17 N3 O
• Calculated formula: C26 H17 N3 O
• SMILES: [nH]1c2c(c3cc4c(cc13)N(c1ccc3c([nH]c5ccccc35)c1C4=O)C)cccc2
• Title of publication: Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.
• Authors of publication: Jin, Ying-Ying; Fang, Qi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 3832 - 3842
• a: 5.6465 ± 0.0008 Å
• b: 10.1339 ± 0.0015 Å
• c: 31.872 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1823.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No