Information card for entry 7160370

Structure parameters

• Formula: C22 H18 O3
• Calculated formula: C22 H18 O3
• Title of publication: Imidazole-catalyzed construction of bridged bicyclo [3.3.1] ketals <i>via</i> formal [3 + 3]-cycloaddition of naphthols and 2-hydroxyl chromene derivatives.
• Authors of publication: Budakoti, Asha; Jha, Priyankar; Verma, Meenakshi; Vasudev, Prema G.; Gupta, Atul
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 2793 - 2796
• a: 9.6299 ± 0.0003 Å
• b: 18.4579 ± 0.0005 Å
• c: 9.9846 ± 0.0003 Å
• α: 90°
• β: 110.009 ± 0.001°
• γ: 90°
• Cell volume: 1667.61 ± 0.09 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No