Information card for entry 1504888

Structure parameters

• Formula: C24 H34 N O6 P S
• Calculated formula: C24 H34 N O6 P S
• SMILES: Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)P(=O)(CCC(=O)OC(C)(C)C)OCC
• Title of publication: Diastereoselective synthesis of alpha,beta'-disubstituted aminomethyl(2-carboxyethyl)phosphinates as phosphinyl dipeptide isosteres.
• Authors of publication: Yamagishi, Takehiro; Ichikawa, Hiroyuki; Haruki, Terumitsu; Yokomatsu, Tsutomu
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 4347 - 4350
• a: 14.3175 ± 0.0017 Å
• b: 10.3715 ± 0.0012 Å
• c: 17.18 ± 0.002 Å
• α: 90°
• β: 90.979 ± 0.002°
• γ: 90°
• Cell volume: 2550.8 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No