Information card for entry 7059490

Structure parameters

• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• Title of publication: Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates
• Authors of publication: Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 6704 - 6708
• a: 8.5051 ± 0.0005 Å
• b: 5.7663 ± 0.0003 Å
• c: 13.3375 ± 0.0007 Å
• α: 90°
• β: 90.705 ± 0.005°
• γ: 90°
• Cell volume: 654.06 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0502
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No