Information card for entry 7017793

Structure parameters

• Formula: C26 H39 N5 O
• Calculated formula: C26 H39 N5 O
• SMILES: Oc1c(n2nc3ccccc3n2)cc(cc1CN(C)CCN(C)C)C(C)(C)CC(C)(C)C
• Title of publication: Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide.
• Authors of publication: Sung, Chang-Yu; Li, Chen-Yu; Su, Jing-Kai; Chen, Ting-Yi; Lin, Chia-Her; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 953 - 961
• a: 7.7158 ± 0.0002 Å
• b: 13.8315 ± 0.0003 Å
• c: 13.9203 ± 0.0003 Å
• α: 60.896 ± 0.001°
• β: 75.123 ± 0.001°
• γ: 82.381 ± 0.001°
• Cell volume: 1254.45 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No