Information card for entry 1570125

Structure parameters

• Formula: C18 H6 F4 O4
• Calculated formula: C18 H6 F4 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: 6.17216 ± 0.00005 Å
• b: 7.93147 ± 0.00008 Å
• c: 14.13554 ± 0.00014 Å
• α: 76.8037 ± 0.0008°
• β: 82.2893 ± 0.0007°
• γ: 87.7961 ± 0.0007°
• Cell volume: 667.609 ± 0.011 ų
• Cell temperature: 89.8 ± 0.4 K
• Ambient diffraction temperature: 89.8 ± 0.4 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: 0.0533
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No