Information card for entry 1573191

Structure parameters

• Formula: C58 H42
• Calculated formula: C58 H42
• SMILES: c1(c2c(c3c1cc1c4c(c(c1c3)c1c(C)cc(cc1C)C)cccc4)cccc2)c1c2ccccc2c2c1cc1c3c(c(c1c2)c1c(C)cc(cc1C)C)cccc3
• Title of publication: 6,6'-Biindeno[1,2-<i>b</i>]fluorene: an open-shell indenofluorene dimer.
• Authors of publication: Sharma, Himanshu; Jana, Palash; Mallick, Dibyendu; Bandyopadhyay, Subhajit; Das, Soumyajit
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 20215 - 20222
• a: 14.265 ± 0.003 Å
• b: 8.009 ± 0.002 Å
• c: 19.2 ± 0.004 Å
• α: 90°
• β: 106.474 ± 0.006°
• γ: 90°
• Cell volume: 2103.5 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0448
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No