Information card for entry 7133544

Structure parameters

• Common name: dDTCO-Bu
• Chemical name: dDTCO-Bu
• Formula: C36 H40 O2 S4
• Calculated formula: C36 H40 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: 12.6446 ± 0.0008 Å
• b: 15.9134 ± 0.0007 Å
• c: 16.2007 ± 0.0016 Å
• α: 80.602 ± 0.006°
• β: 85.926 ± 0.006°
• γ: 88.569 ± 0.004°
• Cell volume: 3207.7 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1205
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No