Information card for entry 2238667

Structure parameters

• Chemical name: 3,3''-Bis(9-hydroxyfluoren-9-yl)-1,1':3',1''-terphenyl
• Formula: C44 H30 O2
• Calculated formula: C44 H30 O2
• SMILES: OC1(c2cccc(c2)c2cccc(c2)c2cccc(c2)C2(O)c3ccccc3c3c2cccc3)c2ccccc2c2c1cccc2
• Title of publication: 3,3''-Bis(9-hydroxyfluoren-9-yl)-1,1':3',1''-terphenyl
• Authors of publication: Skobridis, Konstantinos; Theodorou, Vassiliki; Paraskevopoulos, Georgios; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1514 - o1515
• a: 11.2292 ± 0.0003 Å
• b: 12.4823 ± 0.0003 Å
• c: 24.444 ± 0.0005 Å
• α: 76.07 ± 0.001°
• β: 78.08 ± 0.001°
• γ: 66.917 ± 0.001°
• Cell volume: 3034.98 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No