Information card for entry 7152968

Structure parameters

• Common name: 7,7-Di(benzofuran-2-yl)-6-oxa-bicyclo[3.2.1]octan-4-ol
• Formula: C23 H18 O4
• Calculated formula: C23 H18 O4
• SMILES: o1c(C2(O[C@H]3C(=O)CC[C@@H]2C3)c2oc3c(cccc3)c2)cc2c1cccc2.o1c(C2(O[C@@H]3C(=O)CC[C@H]2C3)c2oc3c(cccc3)c2)cc2c1cccc2
• Title of publication: Taming furfuryl cations for the synthesis of privileged structures and novel scaffolds.
• Authors of publication: Dhiman, Seema; Ramasastry, S. S. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 26
• Pages of publication: 4299 - 4303
• a: 10.594 ± 0.007 Å
• b: 12.392 ± 0.008 Å
• c: 13.698 ± 0.009 Å
• α: 90°
• β: 105.41 ± 0.02°
• γ: 90°
• Cell volume: 1734 ± 2 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No