Information card for entry 7160964

Structure parameters

• Chemical name: 2-(1,5,5-trimethylbicyclo[2.2.1]heptan-2-ylidene)acetic acid
• Formula: C12 H18 O2
• Calculated formula: C12 H18 O2
• Title of publication: Acid-induced rearrangements of polycyclic β-hydroxy acids and their esters.
• Authors of publication: Tkachenko, Ilya M.; Nezamutdinova, Kamila R.; Gladarenko, Vladislav A.; Aksenov, Nicolai A.; Klimochkin, Yuri N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 1620 - 1633
• a: 22.7467 ± 0.0003 Å
• b: 7.33436 ± 0.00011 Å
• c: 13.43652 ± 0.00016 Å
• α: 90°
• β: 98.3898 ± 0.0013°
• γ: 90°
• Cell volume: 2217.66 ± 0.05 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No