Information card for entry 7158249

Structure parameters

• Formula: C34 H28 O4
• Calculated formula: C34 H28 O4
• SMILES: c1(ccc(cc1)OC)C(c1ccc(cc1)OC)=C=C=C=C=C(c1ccc(cc1)OC)c1ccc(cc1)OC
• 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: 10.913 ± 0.004 Å
• b: 7.442 ± 0.003 Å
• c: 16.072 ± 0.005 Å
• α: 90°
• β: 101.62 ± 0.03°
• γ: 90°
• Cell volume: 1278.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2178
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.2748
• Weighted residual factors for all reflections included in the refinement: 0.3523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7158247
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No