Information card for entry 4035965

Structure parameters

• Formula: C25 H20 F N O3
• Calculated formula: C25 H20 F N O3
• SMILES: c1ccccc1[C@@H]1[C@@H]2[C@H](c3c(cccc3)O1)O[C@]1(C2)C(=O)N(C)c2c1cc(cc2)F.c1ccccc1[C@H]1[C@H]2[C@@H](c3c(cccc3)O1)O[C@@]1(C2)C(=O)N(C)c2c1cc(cc2)F
• Title of publication: Diastereoselective Construction of Spiro-furo[3,2- c]benzopyranoxindoles through a Cu(OTf)₂/AcOH Cooperative Promoted Bicyclization Reaction.
• Authors of publication: Li, De-Feng; Gu, Yan; Zhang, Jing-Ru; Liu, Kun; Zhao, Li-Ming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 879 - 887
• a: 8.623 ± 0.0012 Å
• b: 9.5904 ± 0.0012 Å
• c: 12.8096 ± 0.0016 Å
• α: 102.175 ± 0.01°
• β: 92.846 ± 0.011°
• γ: 98.99 ± 0.011°
• Cell volume: 1019 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1449
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No