Information card for entry 7133514

Structure parameters

• Formula: C80 H104 Na2 O6 Si2
• Calculated formula: C80 H104 Na2 O6 Si2
• Title of publication: Chemical reduction of π-expanded functionalized pentacene: cooperation of side group in alkali metal binding.
• Authors of publication: Pennachio, Matthew; Wei, Zheng; Mamada, Masashi; Frigoli, Michel; Petrukhina, Marina A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 71
• Pages of publication: 9526 - 9529
• a: 7.7756 ± 0.0002 Å
• b: 14.1848 ± 0.0004 Å
• c: 16.3912 ± 0.0005 Å
• α: 97.316 ± 0.001°
• β: 100.192 ± 0.001°
• γ: 100.448 ± 0.001°
• Cell volume: 1725.94 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No