Information card for entry 7112247

Structure parameters

• Common name: Binaph-P2-NMe2 (3)
• Chemical name: (1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(dimethylamino)phosphazenyl]bis(dimethylamino)phosphoranylidene)
• Formula: C40 H72 N14 P4
• Calculated formula: C40 H72 N14 P4
• SMILES: c1(c(ccc2ccccc12)N=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C)c1c(ccc2ccccc12)N=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C
• Title of publication: Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex
• Authors of publication: Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4319
• a: 10.5097 ± 0.001 Å
• b: 13.3588 ± 0.0014 Å
• c: 16.9068 ± 0.0017 Å
• α: 87.901 ± 0.004°
• β: 89.867 ± 0.004°
• γ: 82.976 ± 0.004°
• Cell volume: 2354.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No