Information card for entry 4030514

Structure parameters

• Common name: Benzoylphosphonodiamidite
• Chemical name: (bis(diisopropylamino)phosphanyl)(phenyl)methanone
• Formula: C19 H33 N2 O P
• Calculated formula: C19 H33 N2 O P
• SMILES: P(N(C(C)C)C(C)C)(N(C(C)C)C(C)C)C(=O)c1ccccc1
• Title of publication: Synthesis of dinucleoside acylphosphonites by phosphonodiamidite chemistry and investigation of phosphorus epimerization.
• Authors of publication: Hersh, William H.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2015
• Journal volume: 11
• Pages of publication: 184 - 191
• a: 15.8768 ± 0.0008 Å
• b: 9.2589 ± 0.0005 Å
• c: 14.0614 ± 0.0007 Å
• α: 90°
• β: 108.877 ± 0.001°
• γ: 90°
• Cell volume: 1955.87 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No