Information card for entry 1544555

Structure parameters

• Chemical name: 5-(tert-Butyldimethylsilyl)-12-(trimethylsilyl)benzo[a]naphtho[2,3-e]pentalene
• Formula: C29 H34 Si2
• Calculated formula: C29 H34 Si2
• SMILES: [Si](C1=C2C(=C([Si](C)(C)C)c3ccccc23)c2c1cc1ccccc1c2)(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: 15.291 ± 0.008 Å
• b: 11.701 ± 0.006 Å
• c: 14.17 ± 0.008 Å
• α: 90°
• β: 93.057 ± 0.007°
• γ: 90°
• Cell volume: 2532 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0922
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No