Information card for entry 1504173

Structure parameters

• Formula: C27 H30 N4 O2 Si
• Calculated formula: C27 H30 N4 O2 Si
• SMILES: [Si](C1=C2CCCC[C@@H]2[C@](/C1=N\C(=O)Nc1ccccc1)(C(=O)Nc1ccccc1)C#N)(C)(C)C.[Si](C1=C2CCCC[C@H]2[C@@](/C1=N\C(=O)Nc1ccccc1)(C(=O)Nc1ccccc1)C#N)(C)(C)C
• Title of publication: Hydride-induced novel cyclization of dienedinitriles leading to multifunctionalized cyclopentadienes.
• Authors of publication: Zhang, Hui-Jun; Meng, Tianhao; Demerseman, Bernard; Bruneau, Christian; Xi, Zhenfeng
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4458 - 4461
• a: 12.696 ± 0.003 Å
• b: 14.502 ± 0.003 Å
• c: 15.33 ± 0.003 Å
• α: 74.95 ± 0.03°
• β: 71.74 ± 0.03°
• γ: 79.67 ± 0.03°
• Cell volume: 2573.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0942
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No