Information card for entry 7161205

Structure parameters

• Formula: C18 H20 O3
• Calculated formula: C18 H20 O3
• Title of publication: Recursive anionic γ'-spiro-annulation of cyclic vinylogous esters with 2-vinylbenzoates.
• Authors of publication: Chien, Chia-Chen; Govada, Grace Victoria; Shen, Li-Ching; Wu, Yen-Ku
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 3681 - 3685
• a: 7.5012 ± 0.0001 Å
• b: 18.0028 ± 0.0003 Å
• c: 22.3143 ± 0.0003 Å
• α: 97.095 ± 0.001°
• β: 90.017 ± 0.001°
• γ: 90.382 ± 0.001°
• Cell volume: 2990.24 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No