Information card for entry 4338573

Structure parameters

• Formula: C19 H24 N4 O
• Calculated formula: C19 H24 N4 O
• SMILES: OC(C(n1nc(cc1C)C)n1nc(cc1C)C)c1ccc(cc1)C
• Title of publication: On the Search for NNO-Donor Enantiopure Scorpionate Ligands and Their Coordination to Group 4 Metals
• Authors of publication: Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M; Sánchez-Barba, Luis F; Morante-Zarcero, Sonia; Garcés, Andrés
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5540 - 5554
• a: 7.3634 ± 0.001 Å
• b: 11.0255 ± 0.0015 Å
• c: 12.6364 ± 0.0017 Å
• α: 65.704 ± 0.002°
• β: 81.085 ± 0.002°
• γ: 70.782 ± 0.002°
• Cell volume: 882.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No