Information card for entry 1502446

Structure parameters

• Common name: 11116a
• Formula: C23 H28 N O3 P
• Calculated formula: C23 H28 N O3 P
• SMILES: [P@@]1(=O)(O[C@@H](C(CO1)(C)C)C(C)C)N(C#Cc1ccccc1)Cc1ccccc1.[P@]1(=O)(O[C@H](C(CO1)(C)C)C(C)C)N(C#Cc1ccccc1)Cc1ccccc1
• Title of publication: Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.
• Authors of publication: DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 4862 - 4865
• a: 17.2125 ± 0.0012 Å
• b: 13.291 ± 0.0009 Å
• c: 9.4159 ± 0.0006 Å
• α: 90°
• β: 94.299 ± 0.001°
• γ: 90°
• Cell volume: 2148 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.099
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No