Information card for entry 1505550

Structure parameters

• Formula: C22 H16 N2 O4
• Calculated formula: C22 H16 N2 O4
• SMILES: O=C1N(C(=O)C(=C1C1=CCC=CC1)c1ccccc1)c1ccc(N(=O)=O)cc1
• Title of publication: Efficient synthesis of maleimides and carbazoles via Zn(OTf)(2)-catalyzed tandem annulations of isonitriles and allenic esters.
• Authors of publication: Li, Yuanzhen; Zou, Haixia; Gong, Jianxian; Xiang, Jing; Luo, Tuoping; Quan, Junmin; Wang, Guoxin; Yang, Zhen
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 4057 - 4060
• a: 18.774 ± 0.004 Å
• b: 14.394 ± 0.003 Å
• c: 6.8848 ± 0.0014 Å
• α: 90°
• β: 99.94 ± 0.03°
• γ: 90°
• Cell volume: 1832.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1045
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No