Information card for entry 1506671

Structure parameters

• Formula: C42 H40 Si2
• Calculated formula: C42 H40 Si2
• SMILES: [Si](C#Cc1c(C#Cc2c3CCc4ccc(CCc(c2C#Cc2ccccc2C#C[Si](C)(C)C)cc3)cc4)cccc1)(C)(C)C
• Title of publication: [2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.
• Authors of publication: Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 3793 - 3795
• a: 9.3588 ± 0.0008 Å
• b: 12.8978 ± 0.0012 Å
• c: 28.84 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3481.2 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No