Information card for entry 1575620

Structure parameters

• Formula: C12 H16 O2
• Calculated formula: C12 H16 O2
• Title of publication: Remodelling of tricyclic carbon frameworks with a norbornene scaffold.
• Authors of publication: Yoshitani, Akihiro; Sasage, Tomonari; Kato, Ranmaru; Suzuki, Takahiro; Ikeuchi, Kazutada; Tanino, Keiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 84
• Pages of publication: 16372 - 16375
• a: 6.6129 ± 0.0003 Å
• b: 8.1963 ± 0.0009 Å
• c: 9.6111 ± 0.0009 Å
• α: 84.407 ± 0.008°
• β: 88.851 ± 0.006°
• γ: 84.949 ± 0.006°
• Cell volume: 516.41 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0777
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No