Information card for entry 1502428

Structure parameters

• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 N2 O3
• SMILES: O=C(c1ccccc1)[C@H]1N[C@H]([C@H](N(=O)=O)[C@H]1c1ccccc1)c1ccccc1.O=C(c1ccccc1)[C@@H]1N[C@@H]([C@@H](N(=O)=O)[C@@H]1c1ccccc1)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: 21.9909 ± 0.0008 Å
• b: 13.9411 ± 0.0006 Å
• c: 6.3316 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1941.13 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No