Information card for entry 7132380

Structure parameters

• Formula: C14 H12 N O Rb
• Calculated formula: C14 H12 N O Rb
• Title of publication: Isolable rubidium and caesium derivatives of common organic carbonyl compounds.
• Authors of publication: Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 91 - 94
• a: 12.6999 ± 0.0001 Å
• b: 8.7124 ± 0.0001 Å
• c: 12.2028 ± 0.0001 Å
• α: 90°
• β: 113.878 ± 0.001°
• γ: 90°
• Cell volume: 1234.63 ± 0.02 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No