Information card for entry 1502429

Structure parameters

• Formula: C24 H17 N O
• Calculated formula: C24 H17 N O
• SMILES: O=c1c2[nH]c(c(c2c2ccccc2c2c1cccc2)C)c1ccccc1
• Title of publication: Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.
• Authors of publication: Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4668 - 4671
• a: 29.2867 ± 0.0013 Å
• b: 29.2867 ± 0.0013 Å
• c: 10.8321 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8046.1 ± 0.6 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No