Information card for entry 7031761

Structure parameters

• Formula: C44 H38 N3 O10 P3
• Calculated formula: C44 H38 N3 O10 P3
• SMILES: N1=P(N=P(N=P1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1cc(cc(c1)C(=O)OC)C(=O)OC)Oc1cc(cc(c1)C(=O)OC)C(=O)OC
• Title of publication: Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.
• Authors of publication: Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 13899 - 13912
• a: 10.233 ± 0.003 Å
• b: 10.856 ± 0.003 Å
• c: 23.31 ± 0.006 Å
• α: 86.692 ± 0.005°
• β: 82.415 ± 0.005°
• γ: 67.156 ± 0.004°
• Cell volume: 2365.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No