Information card for entry 7132682

Structure parameters

• Chemical name: FLG-327
• Formula: C24 H24 Br O3 P
• Calculated formula: C24 H24 Br O3 P
• SMILES: BrCCP(=O)(CC(=O)OC)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: 9.5566 ± 0.0007 Å
• b: 10.874 ± 0.0007 Å
• c: 12.1513 ± 0.0008 Å
• α: 97.716 ± 0.003°
• β: 112.057 ± 0.003°
• γ: 109.43 ± 0.003°
• Cell volume: 1054.03 ± 0.13 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: 0.0299
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No