Information card for entry 4126304

Structure parameters

• Formula: C40 H14 F16 O4
• Calculated formula: C40 H14 F16 O4
• Title of publication: Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.
• Authors of publication: Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 6.9872 ± 0.0011 Å
• b: 7.1084 ± 0.0011 Å
• c: 35.914 ± 0.006 Å
• α: 87.261 ± 0.003°
• β: 86.899 ± 0.003°
• γ: 73.297 ± 0.004°
• Cell volume: 1705 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.1335
• Weighted residual factors for significantly intense reflections: 0.3509
• Weighted residual factors for all reflections included in the refinement: 0.3534
• Goodness-of-fit parameter for all reflections included in the refinement: 2.452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No