Information card for entry 7028479

Structure parameters

• Formula: C35 H44 B2 F2 O2
• Calculated formula: C35 H44 B2 F2 O2
• SMILES: O1C(=C(c2ccc(cc2)B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)C(=[O][B]1(F)F)C)C.CC1CCCC1
• 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: 8.714 ± 0.002 Å
• b: 15.194 ± 0.004 Å
• c: 23.608 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3125.7 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No