Information card for entry 1502447

Structure parameters

• Common name: 11121z
• 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(Cc1ccccc1)C#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: 5.8722 ± 0.0013 Å
• b: 9.695 ± 0.002 Å
• c: 9.999 ± 0.002 Å
• α: 109.909 ± 0.002°
• β: 93.647 ± 0.002°
• γ: 97.854 ± 0.002°
• Cell volume: 526.49 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1001
• 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