Information card for entry 4023751

Structure parameters

• Common name: [9](2,7)pyrenophane
• Chemical name: [9](2,7)pyrenophane
• Formula: C25 H26
• Calculated formula: C25 H26
• Title of publication: Interplay of π-Electron Delocalization and Strain in [n](2,7)Pyrenophanes
• Authors of publication: Michał A. Dobrowolski; Michał K. Cyrański; Bradley L. Merner; Graham J. Bodwell; Judy I. Wu; von Ragué Schleyer, Paul
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8001 - 8009
• a: 9.645 ± 0.0019 Å
• b: 12.712 ± 0.003 Å
• c: 7.36 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 902.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No