Information card for entry 1566875

Structure parameters

• Formula: C16 H13 F N2 O2
• Calculated formula: C16 H13 F N2 O2
• Title of publication: Water Molecular Bridge-Induced Selective Dual Polarization in Crystals for Stable Multi-Emitter
• Authors of publication: Xing, Yi; Li, Zhongyu; Baryshnikov, Glib; Shen, Shen; Ye, Danfeng; Ågren, Hans; Zhu, Liangliang
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.5395 ± 0.001 Å
• b: 10.6712 ± 0.001 Å
• c: 13.2594 ± 0.0012 Å
• α: 76.844 ± 0.004°
• β: 85.075 ± 0.004°
• γ: 72.914 ± 0.004°
• Cell volume: 1387.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No