Information card for entry 7031760

Structure parameters

• Formula: C54 H44 N5 O4 P3
• Calculated formula: C54 H44 N5 O4 P3
• SMILES: N1=P(N=P(N=P1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccc(cc1)C1=N[C@H](CO1)c1ccccc1)Oc1ccc(cc1)C1=N[C@H](CO1)c1ccccc1
• 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: 10.764 ± 0.013 Å
• b: 16.732 ± 0.017 Å
• c: 13.314 ± 0.017 Å
• α: 90°
• β: 105.78 ± 0.02°
• γ: 90°
• Cell volume: 2308 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No