Information card for entry 7158245

Structure parameters

• Formula: C34 H28 I2 O4
• Calculated formula: C34 H28 I2 O4
• Title of publication: Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.
• Authors of publication: Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 35
• Pages of publication: 7594 - 7597
• a: 12.4916 ± 0.0003 Å
• b: 14.1803 ± 0.0003 Å
• c: 18.3463 ± 0.0005 Å
• α: 90°
• β: 103.83 ± 0.007°
• γ: 90°
• Cell volume: 3155.55 ± 0.16 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.0864
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No