Information card for entry 7113562

Structure parameters

• Formula: C20 H24 N O2 P
• Calculated formula: C20 H24 N O2 P
• SMILES: P12(OC(C1(C)C)C(C)C)(NC(=O)c1c2cccc1)c1ccccc1
• Title of publication: Dilithiated phosphazenes: scaffolds for the synthesis of olefins through a new class of bicyclic 1,2-oxaphosphetanes
• Authors of publication: García-López, Jesús; Peralta-Pérez, Emma; Forcén-Acebal, Angela; García-Granda, Santiago; López-Ortiz, Fernando
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 856 - 857
• a: 13.6367 ± 0.0003 Å
• b: 15.409 ± 0.0003 Å
• c: 18.5552 ± 0.0003 Å
• α: 90°
• β: 108.422 ± 0.0012°
• γ: 90°
• Cell volume: 3699.17 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7104044
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No