Information card for entry 7107502

Structure parameters

• Formula: C24 H21 F2 N3 Si
• Calculated formula: C24 H21 F2 N3 Si
• SMILES: [Si](C(=C=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnc2c1cccc2)(C)(C)C
• Title of publication: Synthesis of allene triazole through iron catalyzed regioselective addition to propargyl alcohols
• Authors of publication: Wuming Yan; Xiaohan Ye; Keith Weise; Jeffrey L. Petersen; Xiaodong Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3521
• a: 20.3557 ± 0.0018 Å
• b: 11.1404 ± 0.0011 Å
• c: 21.776 ± 0.002 Å
• α: 90°
• β: 110.508 ± 0.002°
• γ: 90°
• Cell volume: 4625.2 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No