Information card for entry 4023274

Structure parameters

• Formula: C18 H11 B F2 N2 O
• Calculated formula: C18 H11 B F2 N2 O
• SMILES: F[B]1(F)N2C(=Cc3[n]1c1ccccc1cc3)c1ccccc1C2=O
• Title of publication: Novel Fluorescent Fluorine-Boron Complexes: Synthesis, Crystal Structure, Photoluminescence, and Electrochemistry Properties
• Authors of publication: Ying Zhou; Yi Xiao; Dan Li; Meiyan Fu; Xuhong Qian
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1571 - 1574
• a: 8.675 ± 0.001 Å
• b: 11.4882 ± 0.0013 Å
• c: 14.4342 ± 0.0018 Å
• α: 90°
• β: 101.136 ± 0.003°
• γ: 90°
• Cell volume: 1411.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No