Information card for entry 7132381

Structure parameters

• Formula: C14 H12 Cs N O
• Calculated formula: C14 H12 Cs N O
• 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: 18.6607 ± 0.0004 Å
• b: 6.0929 ± 0.0002 Å
• c: 22.6838 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.1 ± 0.13 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No