Information card for entry 4112303

Structure parameters

• Formula: C36 H44 Si4
• Calculated formula: C36 H44 Si4
• SMILES: C(#CC(=C1c2c(C(c3ccccc13)=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)cccc2)C#C[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure
• Authors of publication: Patrick M. Donovan; Lawrence T. Scott
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3108 - 3112
• a: 10.0038 ± 0.0006 Å
• b: 30.3064 ± 0.0019 Å
• c: 12.6144 ± 0.0008 Å
• α: 90°
• β: 109.696 ± 0.001°
• γ: 90°
• Cell volume: 3600.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No