Information card for entry 7150863

Structure parameters

• Formula: C31 H53 B Cl F2 N3 O2
• Calculated formula: C31 H53 B Cl F2 N3 O2
• 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: 27.621 ± 0.008 Å
• b: 13.498 ± 0.003 Å
• c: 22.643 ± 0.006 Å
• α: 90°
• β: 128.066 ± 0.01°
• γ: 90°
• Cell volume: 6646 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.3261
• Weighted residual factors for all reflections included in the refinement: 0.3307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No