Information card for entry 7155703

Structure parameters

• Formula: C51 H50 B10 O
• Calculated formula: C51 H50 B10 O
• SMILES: c12c(c(c(c(c1c1ccccc1C12c2ccccc2c2ccccc12)c1ccc(cc1)[C]1234[C]567(c8ccc(cc8)OC)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)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: 16.9235 ± 0.0004 Å
• b: 9.141 ± 0.0002 Å
• c: 28.7305 ± 0.0007 Å
• α: 90°
• β: 100.728 ± 0.001°
• γ: 90°
• Cell volume: 4366.86 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No