Information card for entry 7151055

Structure parameters

• Formula: C11 H21 N3
• Calculated formula: C11 H21 N3
• SMILES: N=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.
• Authors of publication: Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 523 - 530
• a: 7.5606 ± 0.0002 Å
• b: 16.9628 ± 0.0004 Å
• c: 9.1745 ± 0.0002 Å
• α: 90°
• β: 92.2557 ± 0.0008°
• γ: 90°
• Cell volume: 1175.71 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No