Information card for entry 1545453

Structure parameters

• Formula: C28 H20 S2
• Calculated formula: C28 H20 S2
• Title of publication: Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.
• Authors of publication: Chaolumen, ?; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 826 - 829
• a: 20.153 ± 0.003 Å
• b: 7.6811 ± 0.0012 Å
• c: 14.612 ± 0.002 Å
• α: 90°
• β: 107.931 ± 0.002°
• γ: 90°
• Cell volume: 2152 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No