Information card for entry 7160796

Structure parameters

• Formula: C22 H20
• Calculated formula: C22 H20
• Title of publication: Synthesis of naphth[2,1-<i>a</i>]azulenes <i>via</i> [8 + 2] cycloaddition of 2<i>H</i>-cyclohepta[<i>b</i>]furan-2-ones, and their reactivity, optical, and structural properties.
• Authors of publication: Shoji, Taku; Yamazaki, Akari; Yoshida, Miku; Yasunami Deceased, Masafumi; Mori, Shigeki; Okujima, Tetsuo; Kamayachi, Takumi; Uchiyama, Ikumi; Sekiguchi, Ryuta; Ito, Shunji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 44
• Pages of publication: 10088 - 10099
• a: 11.2176 ± 0.0006 Å
• b: 5.5152 ± 0.0002 Å
• c: 12.5147 ± 0.0005 Å
• α: 90°
• β: 95.549 ± 0.004°
• γ: 90°
• Cell volume: 770.62 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No