Information card for entry 1503558

Structure parameters

• Formula: C26 H36 N5 O11 P
• Calculated formula: C26 H36 N5 O11 P
• SMILES: P(=O)(OCC)(OCC)[C@@](N(=O)=O)(CCC(=N\Nc1ccc(N(=O)=O)cc1N(=O)=O)/c1ccc(OC)c(OC)c1)CC(C)C
• Title of publication: Enantioselective Synthesis of Quaternary α-Aminophosphonates via Conjugate Addition of α-Nitrophosphonates to Enones (§).
• Authors of publication: Bera, Kalisankar; Namboothiri, Irishi N. N.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 980 - 983
• a: 7.0668 ± 0.0011 Å
• b: 17.519 ± 0.004 Å
• c: 24.193 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2995.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.4075
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No