Information card for entry 1501991

Structure parameters

• Formula: C36 H34 Si2
• Calculated formula: C36 H34 Si2
• SMILES: [Si](C)(C)(C)C#Cc1ccc(cc1)c1c2ccccc2c(c2ccc(C#C[Si](C)(C)C)cc2)c2ccccc12
• 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: 17.8049 ± 0.0008 Å
• b: 8.5396 ± 0.0003 Å
• c: 10.293 ± 0.0005 Å
• α: 90°
• β: 104.004 ± 0.005°
• γ: 90°
• Cell volume: 1518.5 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No