Information card for entry 1552460

Structure parameters

• Formula: C29 H48 N P3
• Calculated formula: C29 H48 N P3
• SMILES: P(P(C1CCCCC1)C1CCCCC1)(P(C1CCCCC1)C1CCCCC1)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: 11.06652 ± 0.00011 Å
• b: 23.601 ± 0.0003 Å
• c: 10.85205 ± 0.00011 Å
• α: 90°
• β: 99.7411 ± 0.001°
• γ: 90°
• Cell volume: 2793.48 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No