Information card for entry 7108134

Structure parameters

• Formula: C38 H56 O2 Si2
• Calculated formula: C38 H56 O2 Si2
• Title of publication: An experimental estimate of the relative aromaticity of the cyclooctatetraene dianion by fusion to dimethyldihydropyrene
• Authors of publication: Reginald H. Mitchell; Pengrong Zhang; David J. Berg; Richard Vaughan Williams
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8144
• a: 10.1203 ± 0.0014 Å
• b: 10.179 ± 0.002 Å
• c: 17.871 ± 0.003 Å
• α: 90.724 ± 0.004°
• β: 94.432 ± 0.009°
• γ: 94.513 ± 0.005°
• Cell volume: 1829.5 ± 0.5 ų
• Cell temperature: 103 ± 0.1 K
• Ambient diffraction temperature: 103 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No