Information card for entry 7133542

Structure parameters

• Common name: dDTCO
• Chemical name: dDTCO
• Formula: C20 H8 O2 S4
• Calculated formula: C20 H8 O2 S4
• Title of publication: Twisted diphenoquinones fused with thiophene rings: thiophene analogs of bianthrone.
• Authors of publication: Adachi, Yohei; Hattori, Yuto; Mikie, Tsubasa; Osaka, Itaru; Ohshita, Joji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 75
• Pages of publication: 10410 - 10413
• a: 35.575 ± 0.002 Å
• b: 35.575 ± 0.002 Å
• c: 6.6823 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7324 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No