Information card for entry 1552463

Structure parameters

• Formula: C21 H40 N P3
• Calculated formula: C21 H40 N P3
• SMILES: P(P(C(C)(C)C)C(C)(C)C)(P(C(C)(C)C)C(C)(C)C)c1ncccc1
• Title of publication: Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
• Authors of publication: Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 7.9088 ± 0.0003 Å
• b: 11.2925 ± 0.0004 Å
• c: 14.4882 ± 0.0006 Å
• α: 73.202 ± 0.003°
• β: 86.167 ± 0.003°
• γ: 72.923 ± 0.003°
• Cell volume: 1183.89 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No