Information card for entry 4029484

Structure parameters

• Formula: C16 H24 Ag F6 P
• Calculated formula: C16 H24 Ag F6 P
• SMILES: C1[CH]2=[CH]3CC[CH]4[Ag]56723([CH]2CC[CH]5=[CH]7CC[CH]6=2)[CH]=4C1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Silver(I)-catalyzed dual activation of propargylic alcohol and aziridine/azetidine: triggering ring-opening and endo-selective ring-closing in a cascade.
• Authors of publication: Bera, Milan; Roy, Sujit
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 22
• Pages of publication: 8814 - 8817
• a: 10.839 ± 0.002 Å
• b: 15.667 ± 0.003 Å
• c: 21.444 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3641.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No