Information card for entry 7160369

Structure parameters

• Formula: C21 H20 O3
• Calculated formula: C21 H20 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: 15.9042 ± 0.0017 Å
• b: 10.4909 ± 0.0011 Å
• c: 10.2599 ± 0.0011 Å
• α: 90°
• β: 101.555 ± 0.003°
• γ: 90°
• Cell volume: 1677.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No