Information card for entry 7031759

Structure parameters

• Formula: C39 H34 N3 O7 P3
• Calculated formula: C39 H34 N3 O7 P3
• SMILES: P1(=NP(=NP(=N1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)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: 10.7687 ± 0.0016 Å
• b: 11.1585 ± 0.0017 Å
• c: 15.827 ± 0.002 Å
• α: 96.595 ± 0.003°
• β: 102.633 ± 0.003°
• γ: 106.603 ± 0.003°
• Cell volume: 1746.1 ± 0.4 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: 0.0586
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No