Information card for entry 7155701

Structure parameters

• Formula: C49 H40 O
• Calculated formula: C49 H40 O
• SMILES: c12c(c(c(c(c1c1ccccc1C12c2ccccc2c2ccccc12)c1ccc(cc1)c1ccc(cc1)OC)CC)CC)c1ccc(cc1)C
• Title of publication: Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.
• Authors of publication: Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.8276 ± 0.0003 Å
• b: 11.6527 ± 0.0003 Å
• c: 18.174 ± 0.0005 Å
• α: 91.534 ± 0.001°
• β: 90.277 ± 0.001°
• γ: 107.972 ± 0.001°
• Cell volume: 1777.45 ± 0.09 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: 0.056
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No