Information card for entry 4024646

Structure parameters

• Formula: C25 H34 N2 O Si
• Calculated formula: C25 H34 N2 O Si
• SMILES: c12ccccc1c1c(C(=C3[C@H]1[C@@](C(CC3)(C)C)(C#N)O[Si](C)(C)C(C)(C)C)C)[nH]2.c12ccccc1c1c(C(=C3[C@@H]1[C@](C(CC3)(C)C)(C#N)O[Si](C)(C)C(C)(C)C)C)[nH]2
• Title of publication: Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates
• Authors of publication: Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 14
• Pages of publication: 4958 - 4974
• a: 9.779 ± 0.003 Å
• b: 10.939 ± 0.003 Å
• c: 11.635 ± 0.004 Å
• α: 89.483 ± 0.006°
• β: 77.658 ± 0.005°
• γ: 85.916 ± 0.005°
• Cell volume: 1212.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No