Information card for entry 7051581

Structure parameters

• Formula: C31 H49 N3
• Calculated formula: C31 H49 N3
• SMILES: N(C(=N\c1c(cccc1C(C)C)C(C)C)/N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and characterisation of bulky guanidines and phosphaguanidines: precursors for low oxidation state metallacycles
• Authors of publication: Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Rose, Richard P.; Stasch, Andreas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 64
• a: 18.397 ± 0.004 Å
• b: 15.542 ± 0.003 Å
• c: 20.168 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5767 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No