Information card for entry 7706485

Structure parameters

• Formula: C17 H7 F5 N2 O2
• Calculated formula: C17 H7 F5 N2 O2
• Title of publication: Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.
• Authors of publication: van Rees, Karlotta; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1610 - 1613
• a: 32.738 ± 0.002 Å
• b: 32.738 ± 0.002 Å
• c: 7.492 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6954 ± 0.8 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No