Information card for entry 7121604

Structure parameters

• Chemical name: AKY-630
• Formula: C22 H21 O P
• Calculated formula: C22 H21 O P
• Title of publication: "Low-coordinate" 1,2-oxaphosphetanes - a new opportunity in coordination and main group chemistry.
• Authors of publication: Kyri, A. W.; Gleim, F.; García Alcaraz, A; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 52
• Pages of publication: 7123 - 7126
• a: 8.3304 ± 0.0003 Å
• b: 25.6709 ± 0.0009 Å
• c: 9.0341 ± 0.0003 Å
• α: 90°
• β: 115.043 ± 0.002°
• γ: 90°
• Cell volume: 1750.31 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No