Information card for entry 7232812

Structure parameters

• Chemical name: 3,3',6,6'-tetramethoxy-[9,9'-bianthracene]-10,10'(9H,9'H)-dione
• Formula: C32 H26 O6
• Calculated formula: C32 H26 O6
• Title of publication: Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone
• Authors of publication: Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2019
• a: 25.4848 ± 0.0018 Å
• b: 7.819 ± 0.0006 Å
• c: 13.9952 ± 0.0011 Å
• α: 90°
• β: 92.559 ± 0.007°
• γ: 90°
• Cell volume: 2786 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No