Information card for entry 1553529

Structure parameters

• Formula: C24 H19 N O3
• Calculated formula: C24 H19 N O3
• SMILES: O=C1c2ccccc2C(=O)C21N=C(c1ccccc1)CC2c1ccccc1.O
• Title of publication: Synthesis of spiro[indane-1,3-dione-1-pyrrolines] via copper-catalyzed heteroannulation of ketoxime acetates with 2-arylideneindane-1,3-diones
• Authors of publication: Duan, Jindian; Cheng, Yuyu; Li, Rou; Li, Pengfei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 1614
• a: 9.3034 ± 0.0001 Å
• b: 9.6541 ± 0.0002 Å
• c: 11.6687 ± 0.0008 Å
• α: 101.875 ± 0.007°
• β: 106.962 ± 0.008°
• γ: 96.397 ± 0.007°
• Cell volume: 964.39 ± 0.09 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: 0.0565
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No