Information card for entry 7039582

Structure parameters

• Formula: C34 H48 B2 F8 N6
• Calculated formula: C34 H48 B2 F8 N6
• Title of publication: Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.
• Authors of publication: Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11781 - 11790
• a: 11.3232 ± 0.0009 Å
• b: 12.4132 ± 0.001 Å
• c: 12.8292 ± 0.001 Å
• α: 90°
• β: 98.879 ± 0.002°
• γ: 90°
• Cell volume: 1781.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1914
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No