Information card for entry 7006741

Structure parameters

• Formula: C40 H64 N4
• Calculated formula: C40 H64 N4
• SMILES: N([C@H]1[C@H](N/C(=N\c2c(cccc2C(C)C)C(C)C)C(C)(C)C)CCCC1)C(=N\c1c(cccc1C(C)C)C(C)C)\C(C)(C)C.N([C@@H]1[C@@H](N/C(=N\c2c(cccc2C(C)C)C(C)C)C(C)(C)C)CCCC1)C(=N\c1c(cccc1C(C)C)C(C)C)\C(C)(C)C
• Title of publication: Racemic N-aryl bis(amidines) and bis(amidinates): on the trail of enantioselective organolanthanide catalysts.
• Authors of publication: Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 12
• Pages of publication: 1544 - 1553
• a: 8.7004 ± 0.0002 Å
• b: 9.6692 ± 0.0001 Å
• c: 24.4085 ± 0.0006 Å
• α: 89.477 ± 0.001°
• β: 88.641 ± 0.001°
• γ: 68.79 ± 0.001°
• Cell volume: 1913.75 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No