Information card for entry 7004585

Structure parameters

• Formula: C22 H37 N O
• Calculated formula: C22 H37 N O
• SMILES: N(C)(C1CCCCC1)Cc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Homo- and heteroleptic zinc aminophenolates as initiators for lactide polymerization
• Authors of publication: Ejfler, Jolanta; Szafert, Sławomir; Mierzwicki, Krzysztof; Jerzykiewicz, Lucjan B.; Sobota, Piotr
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6556 - 6562
• a: 10.306 ± 0.004 Å
• b: 10.451 ± 0.004 Å
• c: 10.594 ± 0.004 Å
• α: 91.41 ± 0.01°
• β: 112.25 ± 0.01°
• γ: 104.86 ± 0.01°
• Cell volume: 1011.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No