Information card for entry 4071778

Structure parameters

• Formula: C23 H25 N O3 Si
• Calculated formula: C23 H25 N O3 Si
• SMILES: [Si](C(c1c2c(n(c3c2cccc3)C)c2c(c1OC)[C@H]1OCC[C@@H]21)=C=O)(C)(C)C.[Si](C(c1c2c(n(c3c2cccc3)C)c2c(c1OC)[C@@H]1OCC[C@H]21)=C=O)(C)(C)C
• Title of publication: Cascade Reactions of Dialkynyl Fischer Carbene Complexes Involving Intramolecular Alkyne Insertions Oriented to the Synthesis of Functionalized Polycycles
• Authors of publication: Barluenga, José; Fañanás-Mastral, Martín; Andina, Facundo; Aznar, Fernando; Valdés, Carlos
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3593
• a: 9.553 ± 0.005 Å
• b: 10.856 ± 0.004 Å
• c: 11.584 ± 0.004 Å
• α: 88.33 ± 0.03°
• β: 69.67 ± 0.04°
• γ: 66.19 ± 0.04°
• Cell volume: 1022 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0993
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No