Information card for entry 1566874

Structure parameters

• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 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: 9.948 ± 0.0006 Å
• b: 5.7541 ± 0.0003 Å
• c: 23.8405 ± 0.0014 Å
• α: 90°
• β: 100.984 ± 0.003°
• γ: 90°
• Cell volume: 1339.67 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No