Information card for entry 1555357

Structure parameters

• Formula: C21 H16 F2 O
• Calculated formula: C21 H16 F2 O
• Title of publication: A Tin(IV) Chloride Promoted Tandem C-O Bond Cleavage/Nazarov Cyclization/Nucleophilic Addition Reaction of 1,1-Disubstituted Allylic Ethers toward the Synthesis of Multisubstituted Indenes.
• Authors of publication: Yang, Chao; Xu, Zheng-Liang; Shao, Hui; Mou, Xue-Qing; Wang, Jie; Wang, Shao-Hua
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5288 - 5291
• a: 8.2834 ± 0.0012 Å
• b: 10.8217 ± 0.0016 Å
• c: 18.382 ± 0.003 Å
• α: 78.708 ± 0.014°
• β: 82.706 ± 0.014°
• γ: 89.789 ± 0.012°
• Cell volume: 1602.4 ± 0.4 ų
• Cell temperature: 293.18 ± 0.1 K
• Ambient diffraction temperature: 293.18 ± 0.1 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: 0.1376
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No