Information card for entry 4116965

Structure parameters

• Formula: C9 H15 Cl F12 N P2 Rh
• Calculated formula: C18 H30 Cl F12 N2 P2 Rh
• SMILES: [Rh]12345678([cH]9[c]4([cH]3[cH]2[cH]19)CC[NH+](C)C)[c]1([cH]5[cH]6[cH]7[cH]81)CC[NH+](C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Cl-]
• Title of publication: Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis
• Authors of publication: Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 4305 - 4306
• a: 6.617 ± 0.002 Å
• b: 7.436 ± 0.002 Å
• c: 13.965 ± 0.003 Å
• α: 76.39 ± 0.02°
• β: 82.31 ± 0.02°
• γ: 87.26 ± 0.02°
• Cell volume: 661.7 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0484
• Goodness-of-fit parameter for significantly intense reflections: 3.6013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No