Information card for entry 1552466

Structure parameters

• Formula: C25 H20 N5 P5
• Calculated formula: C25 H20 N5 P5
• SMILES: P1(P(P(P(P1c1ncccc1)c1ncccc1)c1ncccc1)c1ncccc1)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: 8.88106 ± 0.00006 Å
• b: 19.32439 ± 0.00015 Å
• c: 14.68865 ± 0.00011 Å
• α: 90°
• β: 92.3033 ± 0.0007°
• γ: 90°
• Cell volume: 2518.85 ± 0.03 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No