Information card for entry 1566873

Structure parameters

• Formula: C11 H10 F N O2
• Calculated formula: C11 H10 F N 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: 13.2434 ± 0.0006 Å
• b: 3.8259 ± 0.0002 Å
• c: 19.122 ± 0.0009 Å
• α: 90°
• β: 92.63 ± 0.002°
• γ: 90°
• Cell volume: 967.85 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No