Information card for entry 1570129

Structure parameters

• Formula: C26 H14 O4
• Calculated formula: C26 H14 O4
• Title of publication: Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.
• Authors of publication: Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 12205 - 12218
• a: 8.99456 ± 0.00007 Å
• b: 6.49263 ± 0.00004 Å
• c: 15.52347 ± 0.00011 Å
• α: 90°
• β: 104.184 ± 0.0008°
• γ: 90°
• Cell volume: 878.909 ± 0.011 ų
• Cell temperature: 89.9 ± 0.4 K
• Ambient diffraction temperature: 89.9 ± 0.4 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No