Information card for entry 7226253

Structure parameters

• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: Oc1c(C(N2CCOCC2)c2ccccc2)cccc1
• Title of publication: Tetranuclear Zn2Ln2 Coordination Clusters as catalysts in Petasis Borono-Mannich Multicomponent Reaction
• Authors of publication: Kumar, Prashant; Griffiths, Kieran; Lymperopoulou, Smaragda; Kostakis, George E.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.4472 ± 0.0005 Å
• b: 9.318 ± 0.0004 Å
• c: 11.5805 ± 0.0004 Å
• α: 90°
• β: 90.109 ± 0.004°
• γ: 90°
• Cell volume: 1451.05 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No