Information card for entry 4038605

Structure parameters

• Formula: C26 H17 N O
• Calculated formula: C26 H17 N O
• SMILES: O=C1N2C(c3c4c2cccc4ccc3)=C(c2ccc(cc2)C)c2c1cccc2
• Title of publication: Copper Catalyzed Preparation of Benzo[3,4]indolo[1,2-b]isoquinoline-8-ones and Photoluminescence Exploration.
• Authors of publication: Hua, Yiwen; Chen, Zi-Yan; Diao, Hanying; Zhang, Lianpeng; Qiu, Guanyinsheng; Gao, Xiaoxing; Zhou, Hongwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.9459 ± 0.0011 Å
• b: 10.0372 ± 0.0015 Å
• c: 10.2116 ± 0.0012 Å
• α: 85.58 ± 0.011°
• β: 72.746 ± 0.01°
• γ: 67.106 ± 0.012°
• Cell volume: 896 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No