Information card for entry 4120539

Structure parameters

• Formula: C36 H38 O6
• Calculated formula: C36 H38 O6
• Title of publication: Highly Coplanar Very Long Oligo(alkylfuran)s: A Conjugated System with Specific Head-To-Head Defect.
• Authors of publication: Jin, Xu-Hui; Sheberla, Dennis; Shimon, Linda J. W.; Bendikov, Michael
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 6
• Pages of publication: 2592 - 2601
• a: 8.2211 ± 0.0009 Å
• b: 7.344 ± 0.0008 Å
• c: 25.041 ± 0.003 Å
• α: 90.015 ± 0.004°
• β: 94.66 ± 0.003°
• γ: 90.01 ± 0.004°
• Cell volume: 1506.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No