Information card for entry 1501992

Structure parameters

• Formula: C108 H108 Si6
• Calculated formula: C108 H108 Si6
• SMILES: C[Si](C)(C)/C=C1/C(=C/[Si](C)(C)C)c2ccc(cc2)c2c3ccccc3c(c3ccccc23)c2ccc(cc2)/C(=C\[Si](C)(C)C)/C(=C/[Si](C)(C)C)c2ccc(cc2)c2c3ccccc3c(c3ccccc23)c2ccc(cc2)C(=C\[Si](C)(C)C)/C(=C/[Si](C)(C)C)/c2ccc(cc2)c2c3ccccc3c(c3ccccc23)c2ccc1cc2
• Title of publication: Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload.
• Authors of publication: Gessner, Viktoria H.; Tilley, T. Don
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1154 - 1157
• a: 78.14 ± 0.04 Å
• b: 11.995 ± 0.006 Å
• c: 25.629 ± 0.012 Å
• α: 90°
• β: 104.904 ± 0.008°
• γ: 90°
• Cell volume: 23214 ± 2 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2386
• Residual factor for significantly intense reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No