Information card for entry 1502445

Structure parameters

• Common name: 11111a
• Formula: C22 H26 N O3 P
• Calculated formula: C22 H26 N O3 P
• SMILES: P1(=O)(OCC(CO1)(C)C)N(C#CCCc1ccccc1)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: 21.7595 ± 0.0015 Å
• b: 5.8572 ± 0.0004 Å
• c: 15.7081 ± 0.0011 Å
• α: 90°
• β: 97.045 ± 0.001°
• γ: 90°
• Cell volume: 1986.9 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No