Information card for entry 7122872

Structure parameters

• Chemical name: DB-14
• Formula: C27 H21 Cr O5 P S
• Calculated formula: C27 H21 Cr O5 P S
• Title of publication: Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands
• Authors of publication: Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.9943 ± 0.0005 Å
• b: 13.8498 ± 0.0005 Å
• c: 15.1345 ± 0.0007 Å
• α: 90°
• β: 102.337 ± 0.002°
• γ: 90°
• Cell volume: 2456.07 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No