Information card for entry 1544554

Structure parameters

• Chemical name: 5-(tert-butyldimethylsilyl)-10-(trimethylsilyl)dibenzo[a,e]pentalene
• Formula: C25 H32 Si2
• Calculated formula: C25 H32 Si2
• SMILES: [Si](C1=C2c3c(cccc3)C(=C2c2c1cccc2)[Si](C)(C)C)(C(C)(C)C)(C)C
• Title of publication: Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.
• Authors of publication: Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 101 - 107
• a: 6.657 ± 0.002 Å
• b: 34.537 ± 0.013 Å
• c: 19.811 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4555 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2249
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No