Information card for entry 7130432

Structure parameters

• Chemical name: diethyl (S)-(3-oxo-2-phenylindolin-2-yl)phosphonate
• Formula: C18 H20 N O4 P
• Calculated formula: C18 H20 N O4 P
• Title of publication: Gold-catalyzed redox cycloisomerization/nucleophilic addition/reduction: direct access to 2-phosphoryl indolin-3-ones.
• Authors of publication: Zhou, Xingcui; Xiong, Ting; Jiang, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 61
• Pages of publication: 8568 - 8571
• a: 9.8117 ± 0.0008 Å
• b: 9.8216 ± 0.0007 Å
• c: 10.5478 ± 0.0008 Å
• α: 76.027 ± 0.006°
• β: 74.128 ± 0.007°
• γ: 60.531 ± 0.008°
• Cell volume: 844.24 ± 0.13 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0567
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No