Information card for entry 4024645

Structure parameters

• Formula: C24 H34 N O Si
• Calculated formula: C24 H34 N O Si
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C(C)(C)CCC2=C(c3c([C@H]12)c1c(cccc1)[n]3)C.CC(C)(C)[Si](C)(C)O[C@@H]1C(C)(C)CCC2=C(c3c([C@@H]12)c1ccccc1[n]3)C
• 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: 9.466 ± 0.004 Å
• b: 13.596 ± 0.005 Å
• c: 19.082 ± 0.007 Å
• α: 102.001 ± 0.007°
• β: 98.593 ± 0.007°
• γ: 100.478 ± 0.007°
• Cell volume: 2317 ± 1.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.2006
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No