Information card for entry 7132683

Structure parameters

• Chemical name: FLG-326
• Formula: C21 H19 O P
• Calculated formula: C21 H19 O P
• SMILES: P1(OCC1)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: 8.1143 ± 0.001 Å
• b: 8.9827 ± 0.0013 Å
• c: 12.4136 ± 0.0016 Å
• α: 94.652 ± 0.011°
• β: 90.566 ± 0.01°
• γ: 113.742 ± 0.01°
• Cell volume: 824.6 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No