Information card for entry 1502427

Structure parameters

• Formula: C24 H19 N O
• Calculated formula: C24 H19 N O
• SMILES: O=C(c1[nH]c(c2ccccc2)cc1c1ccccc1)c1ccc(cc1)C
• 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: 8.9942 ± 0.0005 Å
• b: 9.2272 ± 0.0006 Å
• c: 12.0198 ± 0.0008 Å
• α: 99.073 ± 0.005°
• β: 104.225 ± 0.005°
• γ: 101.47 ± 0.005°
• Cell volume: 924.97 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No