Information card for entry 7111591

Structure parameters

• Formula: C33 H29 N O8
• Calculated formula: C33 H29 N O8
• SMILES: o1c2CC(C/C(=C\c3ccc(N(=O)=O)cc3)c2c(c1c1ccccc1)C(OC)c1ccccc1)(C(=O)OC)C(=O)OC
• Title of publication: Rhodium-catalyzed tandem nucleophilic addition/bicyclization of diyne-enones with alcohols: a modular entry to 2,3-fused bicyclic furans
• Authors of publication: Zhao, Wanxiang; Zhang, Junliang
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4384 - 4386
• a: 10.1741 ± 0.0004 Å
• b: 10.9686 ± 0.0004 Å
• c: 14.9749 ± 0.0006 Å
• α: 80.837 ± 0.001°
• β: 73.106 ± 0.001°
• γ: 63.543 ± 0.001°
• Cell volume: 1430.68 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No