Information card for entry 7706427

Structure parameters

• Formula: C27 H41 N3 O2 P
• Calculated formula: C27 H41 N3 O2 P
• SMILES: [P@](=O)(c1ccccc1)(N[C@H](C(C)(C)C)C)c1ccccc1NC1CC([N](=O)C(C)(C)C1)(C)C
• Title of publication: Synthesis, crystal structures and magnetic properties of a P-stereogenic <i>ortho</i>-(4-amino-tempo)phosphinic amide radical and its Cu^II complex.
• Authors of publication: Navarro, Yolanda; Guedes, Guilherme P.; Del Águila-Sánchez, Miguel A; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2585 - 2595
• a: 8.3792 ± 0.0002 Å
• b: 17.0809 ± 0.0004 Å
• c: 18.6707 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2672.23 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0349
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No