Information card for entry 4034215

Structure parameters

• Formula: C20 H13 Br N2 O
• Calculated formula: C20 H13 Br N2 O
• SMILES: Brc1ccc2N(c3c(cc4c5ccccc5[nH]c4c3)C(=O)c2c1)C
• 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: 7.3885 ± 0.001 Å
• b: 11.9192 ± 0.0016 Å
• c: 17.597 ± 0.002 Å
• α: 96.437 ± 0.002°
• β: 90.969 ± 0.002°
• γ: 98.162 ± 0.002°
• Cell volume: 1523.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No