Information card for entry 7028480

Structure parameters

• Formula: C33 H40 B2 F2 O2
• Calculated formula: C33 H40 B2 F2 O2
• SMILES: F[B]1(F)[O]=C(C(=C(O1)C)c1c(c(c(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)c(c1C)C)C)C)C
• Title of publication: Triarylborane conjugated acacH ligands and their BF2 complexes: facile synthesis and intriguing optical properties.
• Authors of publication: Kumar, George Rajendra; Thilagar, Pakkirisamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 3871 - 3879
• a: 42.366 ± 0.014 Å
• b: 8.6 ± 0.003 Å
• c: 15.977 ± 0.005 Å
• α: 90°
• β: 91.14 ± 0.03°
• γ: 90°
• Cell volume: 5820 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No