Information card for entry 7203956

Structure parameters

• Formula: C20 H19 O P Se
• Calculated formula: C20 H19 O P Se
• Title of publication: Reactions of selenothioic acid S-esters with trivalent phosphorus compounds: new synthetic methods for α-phosphoryl alkyl sulfides and alkyl selenides
• Authors of publication: Murai, Toshiaki; Izumi, Chiyoko; Itoh, Toshihide; Kato, Shinzi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 917
• a: 9.404 ± 0.003 Å
• b: 16.703 ± 0.004 Å
• c: 5.777 ± 0.001 Å
• α: 96.67 ± 0.02°
• β: 107.37 ± 0.02°
• γ: 83.96 ± 0.02°
• Cell volume: 857.8 ± 0.4 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 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: 0.0344
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.456
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No