Information card for entry 7033055

Structure parameters

• Formula: C19 H11 B Cl2 F2 N2 O
• Calculated formula: C19 H11 B Cl2 F2 N2 O
• SMILES: [B]1(F)(F)[n]2c3ccccc3oc2c2ccccc2N1c1c(cccc1Cl)Cl
• Title of publication: Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.
• Authors of publication: Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1120 - 1129
• a: 11.8174 ± 0.0018 Å
• b: 10.004 ± 0.0015 Å
• c: 15.2107 ± 0.0019 Å
• α: 90°
• β: 98.682 ± 0.007°
• γ: 90°
• Cell volume: 1777.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.085
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No