Information card for entry 4516175

Structure parameters

• Formula: C20 H14 O2
• Calculated formula: C20 H14 O2
• SMILES: c12ccccc1cc(c1ccc(/C=C/c3ccccc3)o1)o2
• Title of publication: Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.
• Authors of publication: Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 18542 - 18552
• a: 11.0189 ± 0.0003 Å
• b: 5.6659 ± 0.0002 Å
• c: 46.0573 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2875.45 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No