Information card for entry 4038166

Structure parameters

• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: O=C(Nc1ccc(c2c1nccc2)C(c1ccccc1)c1c(O)ccc(c1)C)C(C)(C)C
• Title of publication: Synthesis of Triarylmethanes by Decarbonylation of 3, 3-Diaryl Benzofuranones.
• Authors of publication: Tang, Zhi; Peng, Lingteng; Yuan, Yu; Li, Tianjing; Qiu, Renhua; Kambe, Nobuaki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.6186 ± 0.0005 Å
• b: 11.8426 ± 0.0007 Å
• c: 18.1021 ± 0.001 Å
• α: 90°
• β: 99.144 ± 0.005°
• γ: 90°
• Cell volume: 2459.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No