Information card for entry 4338572

Structure parameters

• Formula: C16 H26 N4 O
• Calculated formula: C16 H26 N4 O
• SMILES: n1(nc(C)cc1C)C(n1nc(cc1C)C)C(C(C)(C)C)O
• 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: 8.619 ± 0.016 Å
• b: 13.93 ± 0.03 Å
• c: 14.29 ± 0.03 Å
• α: 94.87 ± 0.03°
• β: 91.59 ± 0.03°
• γ: 102 ± 0.03°
• Cell volume: 1670 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.13
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No