Information card for entry 7713130

Structure parameters

• Formula: C9 H12 N2 O
• Calculated formula: C9 H12 N2 O
• SMILES: Oc1c(/N=C/N(C)C)cccc1
• Title of publication: Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.
• Authors of publication: Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 21.7702 ± 0.0006 Å
• b: 21.957 ± 0.0006 Å
• c: 7.2513 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3466.18 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No