Information card for entry 7031758

Structure parameters

• Formula: C40 H34 N3 O6 P3
• Calculated formula: C40 H34 N3 O6 P3
• SMILES: P1(=NP(=NP(=N1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccc(cc1)C(=O)OC)Oc1ccc(cc1)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: 10.7552 ± 0.0012 Å
• b: 17.317 ± 0.002 Å
• c: 19.938 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3713.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No