Information card for entry 4117251

Structure parameters

• Common name: Monomer
• Chemical name: 5,12,24,31-Tetraoxa-tricyclo[33.3.1.16.20]tetracontra-1(39),16,18, 20(40),35,37-hexaene-2,7,9,14,21,26,28,33-octayne
• Formula: C36 H24 O4
• Calculated formula: C36 H24 O4
• SMILES: C1#CCOCC#Cc2cc(ccc2)C#CCOCC#CC#CCOCC#Cc2cc(ccc2)C#CCOCC#C1
• 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: 4.8389 ± 0.0003 Å
• b: 9.1349 ± 0.0005 Å
• c: 15.9935 ± 0.0008 Å
• α: 85.317 ± 0.004°
• β: 86.918 ± 0.004°
• γ: 80.569 ± 0.005°
• Cell volume: 694.49 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0698
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No