Information card for entry 1544556

Structure parameters

• Chemical name: 5-(tert-Butyldimethylsilyl)-3-(dimethylamino)-8-nitro-10-(trimethylsilyl)dibenzo[a,e]pentalene
• Formula: C27 H36 N2 O2 Si2
• Calculated formula: C27 H36 N2 O2 Si2
• SMILES: [Si](C1=C2C(=C([Si](C)(C)C)c3c2cc(cc3)N(C)C)c2cc(ccc12)N(=O)=O)(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: 7.221 ± 0.003 Å
• b: 11.79 ± 0.005 Å
• c: 16.389 ± 0.009 Å
• α: 110.915 ± 0.01°
• β: 93.663 ± 0.016°
• γ: 94.99 ± 0.02°
• Cell volume: 1291.6 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No