Information card for entry 7054915

Structure parameters

• Chemical name: (Z)-1-(4-(dimethylamino)phenyl)-2-(phenanthridin-6-yl)ethenol difluoroboron
• Formula: C23 H19 B F2 N2 O
• Calculated formula: C23 H19 B F2 N2 O
• SMILES: F[B]1(F)OC(=Cc2[n]1c1ccccc1c1ccccc21)c1ccc(N(C)C)cc1
• 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: 7.2856 ± 0.0005 Å
• b: 18.1056 ± 0.0011 Å
• c: 27.2497 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3594.5 ± 0.4 ų
• Cell temperature: 171.2 K
• Ambient diffraction temperature: 171.2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No