Information card for entry 7150862

Structure parameters

• Formula: C19 H25 B F2 N2 O2
• Calculated formula: C19 H25 B F2 N2 O2
• SMILES: [B]1(OC(=CC(=[O]1)c1[nH]c(cc1)CCCC)c1[nH]c(cc1)CCCC)(F)F
• Title of publication: BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors
• Authors of publication: Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 433 - 436
• a: 8.526 ± 0.006 Å
• b: 12.16 ± 0.006 Å
• c: 8.797 ± 0.005 Å
• α: 90°
• β: 93.64 ± 0.03°
• γ: 90°
• Cell volume: 910.2 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No