Information card for entry 1568639

Structure parameters

• Formula: C10 H13 P S
• Calculated formula: C10 H13 P S
• Title of publication: Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
• Authors of publication: Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3834 - 3838
• a: 16.7779 ± 0.0001 Å
• b: 10.4268 ± 0.0001 Å
• c: 11.693 ± 0.0001 Å
• α: 90°
• β: 101.778 ± 0.001°
• γ: 90°
• Cell volume: 2002.5 ± 0.03 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 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: 0.0279
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No