Information card for entry 7007718

Structure parameters

• Common name: 05325fix
• Formula: C19 H16 N2 O
• Calculated formula: C19 H16 N2 O
• SMILES: n1cccc2c1c(NC=C(C=O)c1ccc(cc1)C)ccc2
• Title of publication: Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.
• Authors of publication: Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 40
• Pages of publication: 4814 - 4820
• a: 6.3158 ± 0.001 Å
• b: 8.6984 ± 0.0014 Å
• c: 13.841 ± 0.002 Å
• α: 101.945 ± 0.002°
• β: 91.645 ± 0.003°
• γ: 98.646 ± 0.003°
• Cell volume: 734.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No