Information card for entry 4516172

Structure parameters

• Formula: C16 H12 O
• Calculated formula: C16 H12 O
• 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: 13.4246 ± 0.0005 Å
• b: 5.6336 ± 0.0002 Å
• c: 7.7042 ± 0.0003 Å
• α: 90°
• β: 90.883 ± 0.003°
• γ: 90°
• Cell volume: 582.59 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0681
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No