Information card for entry 4035676

Structure parameters

• Formula: C32 H26 N4 O7
• Calculated formula: C32 H26 N4 O7
• SMILES: O1C(=C(C2=C(c3ccc(cc3)N(=O)=O)[C@@H](c3ccc(OC)cc3)[C@]([C@@]12c1ccc(OC)cc1)(C#N)C(=O)OCC)C#N)N.O1C(=C(C2=C(c3ccc(cc3)N(=O)=O)[C@H](c3ccc(OC)cc3)[C@@]([C@]12c1ccc(OC)cc1)(C#N)C(=O)OCC)C#N)N
• Title of publication: DBU-Promoted Cascade Annulation of Nitroarylcyclopropane-1,1-dicarbonitriles and 3-Aryl-2-cyanoacrylates: An Access to Highly Functionalized Cyclopenta[ b]furan Derivatives.
• Authors of publication: Qian, Siran; Xie, Zengyang; Liu, Jiaming; Li, Mingshuang; Wang, Shan; Luo, Naili; Wang, Cunde
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14768 - 14776
• a: 13.0781 ± 0.0008 Å
• b: 16.9366 ± 0.0009 Å
• c: 13.9466 ± 0.0007 Å
• α: 90°
• β: 108.598 ± 0.002°
• γ: 90°
• Cell volume: 2927.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.134
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No