Information card for entry 7039583

Structure parameters

• Formula: C33 H52 Cl2 N6 O
• Calculated formula: C33 H52 Cl2 N6 O
• 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: 11.4134 ± 0.0014 Å
• b: 11.7294 ± 0.0014 Å
• c: 14.5809 ± 0.0017 Å
• α: 101.215 ± 0.004°
• β: 109.626 ± 0.004°
• γ: 96.15 ± 0.004°
• Cell volume: 1771.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No