Information card for entry 7033053

Structure parameters

• Formula: C23 H21 B F2 N2 O
• Calculated formula: C23 H21 B F2 N2 O
• SMILES: [B]1(F)(F)N(c2c(CC)cccc2CC)c2ccccc2c2[n]1c1c(cccc1)o2
• 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: 9.9254 ± 0.0004 Å
• b: 15.5842 ± 0.0005 Å
• c: 24.9184 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3854.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No