Information card for entry 7158248

Structure parameters

• Formula: C34 H29 I O4
• Calculated formula: C34 H29 I O4
• SMILES: IC1=CC(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)C(=C1c1ccc(OC)cc1)c1ccc(OC)cc1
• 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: 10.24137 ± 0.00019 Å
• b: 11.9283 ± 0.0002 Å
• c: 13.3381 ± 0.0002 Å
• α: 113.529 ± 0.008°
• β: 109.913 ± 0.008°
• γ: 93.193 ± 0.007°
• Cell volume: 1369.46 ± 0.15 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 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: 0.0365
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No