Information card for entry 7160795

Structure parameters

• Formula: C31 H20 Cl2 N2
• Calculated formula: C31 H20 Cl2 N2
• 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: 6.1306 ± 0.0002 Å
• b: 10.2833 ± 0.0004 Å
• c: 19.6907 ± 0.0008 Å
• α: 102.566 ± 0.003°
• β: 96.09 ± 0.003°
• γ: 96.304 ± 0.003°
• Cell volume: 1193.44 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1507
• 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: Yes
• Has Fobs: No