Information card for entry 4034220

Structure parameters

• Formula: C26 H17 N3 O
• Calculated formula: C26 H17 N3 O
• SMILES: O=C1c2c3[nH]c4c(cccc4)c3ccc2N(c2c1c1[nH]c3c(c1cc2)cccc3)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: 29.7977 ± 0.0005 Å
• b: 7.5553 ± 0.0001 Å
• c: 16.4954 ± 0.0003 Å
• α: 90°
• β: 100.342 ± 0.001°
• γ: 90°
• Cell volume: 3653.29 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No