Information card for entry 1504172

Structure parameters

• Formula: C13 H20 N2 Si
• Calculated formula: C13 H19 N2 Si
• SMILES: C(#N)[C@@H]1C(=C([C@@H]2CCCC[C@@H]12)[Si](C)(C)C)N.C(#N)[C@H]1C(=C([C@H]2CCCC[C@H]12)[Si](C)(C)C)N
• 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: 10.6 ± 0.002 Å
• b: 14.995 ± 0.003 Å
• c: 8.7526 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1391.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No