Information card for entry 4302365

Structure parameters

• Formula: C26 H34 N4 O4
• Calculated formula: C26 H34 N4 O4
• SMILES: O([C@@H](C(n1nc(cc1C)C)n1nc(cc1C)C)C(C)(C)C)C(=O)[C@H](OC(=O)C)c1ccccc1.O([C@H](C(n1nc(cc1C)C)n1nc(cc1C)C)C(C)(C)C)C(=O)[C@@H](OC(=O)C)c1ccccc1
• 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: 6.928 ± 0.006 Å
• b: 10.73 ± 0.009 Å
• c: 18.516 ± 0.015 Å
• α: 75.467 ± 0.015°
• β: 82.452 ± 0.015°
• γ: 77.829 ± 0.015°
• Cell volume: 1298 ± 1.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338574
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No