Information card for entry 7127484

Structure parameters

• Formula: C70 H56
• Calculated formula: C70 H56
• Title of publication: Isoacenofuran: a novel quinoidal building block for efficient access to high-ordered polyacene derivatives.
• Authors of publication: Kitamura, Kei; Kudo, Ryoji; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 95
• Pages of publication: 14988 - 14991
• a: 8.80384 ± 0.00016 Å
• b: 9.18711 ± 0.00017 Å
• c: 30.3074 ± 0.0006 Å
• α: 90°
• β: 96.5951 ± 0.001°
• γ: 90°
• Cell volume: 2435.1 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.2787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No