Information card for entry 4122811

Structure parameters

• Formula: C17 H18 Cl I N O3 P
• Calculated formula: C17 H18 Cl I N O3 P
• SMILES: IC[C@]1(O[P@](=O)(OC)N(C1)Cc1ccccc1)c1ccc(Cl)cc1
• Title of publication: Brønsted Acid catalyzed phosphoramidic Acid additions to alkenes: diastereo- and enantioselective halogenative cyclizations for the synthesis of C- and p-chiral phosphoramidates.
• Authors of publication: Toda, Yasunori; Pink, Maren; Johnston, Jeffrey N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 14734 - 14737
• a: 10.0282 ± 0.0008 Å
• b: 12.0996 ± 0.0011 Å
• c: 14.7064 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1784.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0231
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No