Information card for entry 7160112

Structure parameters

• Formula: C36 H22 O2
• Calculated formula: C36 H22 O2
• Title of publication: Switching the regioselectivity of acid-catalyzed reactions of arylnaphtho[2,1-<i>b</i>]furans <i>via</i> a [1,2]-aryl shift.
• Authors of publication: Mekeda, I. S.; Balakhonov, R. Yu; Shirinian, V. Z.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 37
• Pages of publication: 7715 - 7724
• a: 11.43259 ± 0.0001 Å
• b: 24.93811 ± 0.00018 Å
• c: 8.39634 ± 0.00006 Å
• α: 90°
• β: 96.9186 ± 0.0007°
• γ: 90°
• Cell volume: 2376.43 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No