Information card for entry 4078073

Structure parameters

• Formula: C21 H36 N2 O
• Calculated formula: C21 H36 N2 O
• SMILES: c1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1C(=N\C(C)C)\NC(C)C
• Title of publication: Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands
• Authors of publication: Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3228
• a: 9.3588 ± 0.0004 Å
• b: 10.8077 ± 0.0005 Å
• c: 10.4727 ± 0.0005 Å
• α: 90°
• β: 94.896 ± 0.002°
• γ: 90°
• Cell volume: 1055.42 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No