Information card for entry 7160792

Structure parameters

• Formula: C21 H20
• Calculated formula: C21 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: 10.2316 ± 0.0005 Å
• b: 28.9675 ± 0.0015 Å
• c: 10.4047 ± 0.0005 Å
• α: 90°
• β: 101.559 ± 0.007°
• γ: 90°
• Cell volume: 3021.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No