Information card for entry 4087977

Structure parameters

• Formula: C21 H32 N2 O2
• Calculated formula: C21 H32 N2 O2
• SMILES: C(C1=NC(C)(C)CO1)(C1=NC(C)(C)CO1)(C1=C(C(=C(C1C)C)C)C)C
• Title of publication: Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations
• Authors of publication: Eedugurala, Naresh; Hovey, Megan; Ho, Hung-An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 5566
• a: 8.892 ± 0.003 Å
• b: 14.886 ± 0.005 Å
• c: 15.369 ± 0.005 Å
• α: 90°
• β: 97.497 ± 0.004°
• γ: 90°
• Cell volume: 2016.9 ± 1.2 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: 0.071
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No