Information card for entry 4517820

Structure parameters

• Formula: C34 H10 B F15 N2 O
• Calculated formula: C34 H10 B F15 N2 O
• SMILES: Fc1c(F)c(F)c(F)c(F)c1[B]([OH2])(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.N#Cc1c2ccccc2c(c2c1cccc2)C#N
• Title of publication: Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.
• Authors of publication: Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 8.1231 ± 0.0003 Å
• b: 12.6785 ± 0.0007 Å
• c: 15.4949 ± 0.0007 Å
• α: 113.285 ± 0.005°
• β: 97.678 ± 0.004°
• γ: 94.858 ± 0.004°
• Cell volume: 1436.01 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No