Information card for entry 1506670

Structure parameters

• Formula: C40.75 H27 Cl0.5
• Calculated formula: C40.75 H27 Cl0.5
• Title of publication: [2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.
• Authors of publication: Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 3793 - 3795
• a: 11.903 ± 0.002 Å
• b: 12.782 ± 0.002 Å
• c: 18.785 ± 0.003 Å
• α: 90.687 ± 0.008°
• β: 95.682 ± 0.008°
• γ: 96.926 ± 0.008°
• Cell volume: 2822.4 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No