Information card for entry 7708650

Structure parameters

• Formula: C33 H44 N P S
• Calculated formula: C33 H44 N P S
• SMILES: S(C(=N\CCC)\P(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C(C)C)CC
• Title of publication: On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride
• Authors of publication: Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.6387 ± 0.0004 Å
• b: 11.4933 ± 0.0006 Å
• c: 15.9839 ± 0.0008 Å
• α: 76.227 ± 0.002°
• β: 87.145 ± 0.002°
• γ: 75.964 ± 0.002°
• Cell volume: 1495.29 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No