Information card for entry 7155704

Structure parameters

• Formula: C48 H38
• Calculated formula: C48 H38
• SMILES: c12c(c(c(c(c1c1ccccc1C12c2ccccc2c2ccccc12)c1ccc(cc1)c1ccccc1)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: 8.333 ± 0.0002 Å
• b: 11.6908 ± 0.0003 Å
• c: 18.3693 ± 0.0004 Å
• α: 88.57 ± 0.001°
• β: 86.248 ± 0.001°
• γ: 72.826 ± 0.001°
• Cell volume: 1706.04 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No