Information card for entry 4117250

Structure parameters

• Common name: macrocycle
• Formula: C36 H24 O4
• Calculated formula: C36 H24 O4
• SMILES: C1C#CC#CCOCC#Cc2cc(C#CCOCC#CC#CCOCC#Cc3cc(C#CCO1)ccc3)ccc2
• Title of publication: Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube
• Authors of publication: Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 142 - 145
• a: 33.861 ± 0.006 Å
• b: 5.087 ± 0.0007 Å
• c: 18.047 ± 0.004 Å
• α: 90°
• β: 117.51 ± 0.02°
• γ: 90°
• Cell volume: 2757.1 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No