Information card for entry 7106763

Structure parameters

• Formula: C27 H29 B F2 N2 O2
• Calculated formula: C27 H29 B F2 N2 O2
• SMILES: F[B]1(F)OC(=CC(=[O]1)c1[nH]c(c2ccc(C#C)cc2)c(c1CC)CC)c1[nH]cc(c1CC)CC
• Title of publication: Anion-responsive covalently linked and metal-ridged oligomers
• Authors of publication: Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9342
• a: 12.211 ± 0.005 Å
• b: 13.253 ± 0.005 Å
• c: 16.614 ± 0.005 Å
• α: 102.298 ± 0.014°
• β: 97.612 ± 0.013°
• γ: 105.9 ± 0.015°
• Cell volume: 2473.8 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoK_a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No