Information card for entry 7102757

Structure parameters

• Formula: C44 H63 Li N2 O P2
• Calculated formula: C44 H63 Li N2 O P2
• SMILES: P1(P(=[N](c2c(cccc2C(C)C)C(C)C)[Li]([O](CC)CC)N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)CCCC)c1ccccc1
• Title of publication: Formation of a chiral NPPN ligand via metallation of acyclic NPNCN systems.
• Authors of publication: Chivers, Tristram; Copsey, May C; Parvez, Masood
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 2818 - 2819
• a: 11.712 ± 0.002 Å
• b: 19.656 ± 0.003 Å
• c: 18.528 ± 0.002 Å
• α: 90°
• β: 97.821 ± 0.01°
• γ: 90°
• Cell volume: 4225.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No