Information card for entry 4083648

Structure parameters

• Formula: C46 H50 N4 P2
• Calculated formula: C46 H50 N4 P2
• SMILES: P(N[C@@H]1[C@@H](NP(=Nc2c(cccc2C)C)(c2ccccc2)c2ccccc2)CCCC1)(=Nc1c(cccc1C)C)(c1ccccc1)c1ccccc1.P(N[C@H]1[C@H](NP(=Nc2c(cccc2C)C)(c2ccccc2)c2ccccc2)CCCC1)(=Nc1c(cccc1C)C)(c1ccccc1)c1ccccc1
• Title of publication: DACH-Bridged (DACH =trans-1,2-Diaminocyclohexane) Bis(iminophosphonamide) Derivatives of Groups 3 and 13 and Their Use in the Enantiomorphic Polymerization of Methyl Methacrylate
• Authors of publication: Ahmed, Shabana A.; Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.; St John, Oliver
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 538
• a: 11.745 ± 0.0003 Å
• b: 19.6556 ± 0.0006 Å
• c: 17.8171 ± 0.0006 Å
• α: 90°
• β: 106.376 ± 0.002°
• γ: 90°
• Cell volume: 3946.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No