Information card for entry 7132452

Structure parameters

• Formula: C26 H16 O
• Calculated formula: C26 H16 O
• SMILES: c1cccc2cc(c3cccc4cccc(c34)C#Cc3ccccc3)oc12
• Title of publication: Intramolecular through-space charge transfer between benzofuran and ynone groups on a naphthalene spacer.
• Authors of publication: Calikyilmaz, Eylul; Karaoglu, Gozde; Demir, Mete; Şahin, Onur; Ulgut, Burak; Akdag, Akin; Türkmen, Yunus Emre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 550 - 553
• a: 5.8787 ± 0.0003 Å
• b: 25.8705 ± 0.0014 Å
• c: 12.0671 ± 0.0006 Å
• α: 90°
• β: 101.194 ± 0.002°
• γ: 90°
• Cell volume: 1800.31 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No