Information card for entry 7233182

Structure parameters

• Formula: C32 H30 O8 S2
• Calculated formula: C32 H30 O8 S2
• Title of publication: Water soluble pentacene
• Authors of publication: Chandrani Pramanik; Yushu Li; Anup Singh; Weimin Lin; Jennifer L. Hodgson; Jonathan B. Briggs; Simka Ellis; Peter Muller; Nicol E. McGruer; Glen P. Miller
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 2193 - 2201
• a: 5.0554 ± 0.0004 Å
• b: 10.5514 ± 0.0008 Å
• c: 13.4788 ± 0.001 Å
• α: 100.067 ± 0.002°
• β: 94.337 ± 0.002°
• γ: 92.778 ± 0.002°
• Cell volume: 704.49 ± 0.09 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: 0.0655
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No