Information card for entry 7054916

Structure parameters

• Chemical name: (Z)-2-(phenanthridin-6-yl)-1-phenylethenol difluoroboron
• Formula: C21 H14 B F2 N O
• Calculated formula: C21 H14 B F2 N O
• SMILES: F[B]1(F)OC(=Cc2[n]1c1ccccc1c1ccccc21)c1ccccc1
• Title of publication: Study on the solution and solid-state fluorescence of novel BF2complexes with (Z)-2-[phenanthridin-6(5H)-ylidene]-1-phenylethanone and its derivatives as ligands
• Authors of publication: Wu, Ding-Er; Lu, Xiao-Lin; Xia, Min
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6465
• a: 30.2538 ± 0.0015 Å
• b: 7.7757 ± 0.0004 Å
• c: 13.4669 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3168 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No