Information card for entry 1520334

Structure parameters

• Formula: C36 H81 N3 O12 P3 Pr
• Calculated formula: C36 H81 N3 O12 P3 Pr
• SMILES: [Pr]123([O]=P(CC(C)C)(CC(C)C)CC(C)C)([O]=P(CC(C)C)(CC(C)C)CC(C)C)([O]=P(CC(C)C)(CC(C)C)CC(C)C)(ON(=[O]2)=O)([O]=N(=O)O3)[O]=N(=O)O1
• Title of publication: C36H81N3O12P3Pr
• Authors of publication: Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1240
• a: 14.3481 ± 0.0009 Å
• b: 14.4845 ± 0.0009 Å
• c: 23.9651 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4980.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No