Information card for entry 7132684

Structure parameters

• Chemical name: FLG-457
• Formula: C24 H24 Br O2 P
• Calculated formula: C24 H24 Br O2 P
• SMILES: BrCCP(=O)(CC(=O)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.
• Authors of publication: Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 19
• Pages of publication: 2625 - 2628
• a: 8.8789 ± 0.0004 Å
• b: 9.5863 ± 0.0004 Å
• c: 13.4826 ± 0.0005 Å
• α: 84.831 ± 0.003°
• β: 87.383 ± 0.003°
• γ: 65.062 ± 0.003°
• Cell volume: 1036.32 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0664
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No