Information card for entry 4068848

Structure parameters

• Formula: C16 H20 N O P
• Calculated formula: C16 H20 N O P
• SMILES: P1(=O)(N(C(C)C)C(C)C)c2cccc3cccc1c23
• Title of publication: Synthesis and Reactivity of Five-Membered P(V)-Phosphapalladacycles
• Authors of publication: Mizuta, Tsutomu; Tanaka, Nobuyuki; Iwakuni, Yukiko; Kubo, Kazuyuki; Miyoshi, Katsuhiko
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2808
• a: 7.746 ± 0.0001 Å
• b: 14.138 ± 0.0003 Å
• c: 14.362 ± 0.0003 Å
• α: 90°
• β: 102.003 ± 0.001°
• γ: 90°
• Cell volume: 1538.44 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No