Information card for entry 4037979

Structure parameters

• Formula: C21 H33 Au Cl P
• Calculated formula: C21 H33 Au Cl P
• SMILES: [P@@]12([Au]Cl)[C@@H](C(C)(C)C)[C@@H]1C(C)(C)c1c2c(C(C)C)cc(C(C)C)c1.[P@]12([Au]Cl)[C@H](C(C)(C)C)[C@H]1C(C)(C)c1c2c(C(C)C)cc(C(C)C)c1
• Title of publication: Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.
• Authors of publication: Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.2004 ± 0.0005 Å
• b: 10.6944 ± 0.0004 Å
• c: 17.4086 ± 0.0007 Å
• α: 90°
• β: 107.563 ± 0.001°
• γ: 90°
• Cell volume: 2165.52 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No