Information card for entry 7161204

Structure parameters

• Formula: C17 H20 O4
• Calculated formula: C17 H20 O4
• 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: 14.131 ± 0.0002 Å
• b: 11.62229 ± 0.00019 Å
• c: 8.68459 ± 0.00015 Å
• α: 90°
• β: 97.7171 ± 0.0015°
• γ: 90°
• Cell volume: 1413.39 ± 0.04 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: 0.0449
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No