Information card for entry 4517823

Structure parameters

• Formula: C34 H12 B F15 N2 O2
• Calculated formula: C34 H12 B F15 N2 O2
• SMILES: [B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[OH2].C(#N)c1c2ccccc2c(c2ccccc12)C#N.O
• 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: 24.7131 ± 0.0011 Å
• b: 7.4256 ± 0.0005 Å
• c: 34.3572 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6304.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1729
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No