Information card for entry 2006863

Structure parameters

• Chemical name: (-) Diphenyl (R)-1-[(S)-isoleucyl]pyrrolidine-2-phosphonate hydrochloride
• Formula: C22 H30 Cl N2 O4 P
• Calculated formula: C22 H30 Cl N2 O4 P
• Title of publication: Diphenyl ({-})-(<i>R</i>)-1-[(<i>S</i>)-Isoleucyl]pyrrolidine-2-phosphonate Hydrochloride
• Authors of publication: Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1952 - 1954
• a: 6.0144 ± 0.0006 Å
• b: 13.8744 ± 0.0008 Å
• c: 27.517 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2296.2 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No