Information card for entry 4107859

Structure parameters

• Formula: C32 H38 N2 Si2
• Calculated formula: C32 H38 N2 Si2
• SMILES: c1ccc2c(c1)c(c1c(c2C#C[Si](CC)(CC)CC)nc2c(cccc2)n1)C#C[Si](CC)(CC)CC
• Title of publication: AreN,N-Dihydrodiazatetracene Derivatives Antiaromatic?
• Authors of publication: Shaobin Miao; Scott M. Brombosz; Paul V. R. Schleyer; Judy I. Wu; Stephen Barlow; Seth R. Marder; Kenneth I. Hardcastle; Uwe H. F. Bunz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7339 - 7344
• a: 30.889 ± 0.004 Å
• b: 13.6906 ± 0.0013 Å
• c: 7.2062 ± 0.0008 Å
• α: 90°
• β: 102.456 ± 0.005°
• γ: 90°
• Cell volume: 2975.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No