Information card for entry 7119385

Structure parameters

• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 N2 O3
• SMILES: O(c1cc2c(C(c3c4c([nH]c3)ccc(OC)c4)c3occc3)[nH]cc2cc1)C
• Title of publication: Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation
• Authors of publication: Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.
• Journal of publication: Chemical Communications
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 50
• Pages of publication: 7866 - 7869
• a: 8.8491 ± 0.0005 Å
• b: 10.6531 ± 0.0007 Å
• c: 20.9154 ± 0.0013 Å
• α: 90°
• β: 96.794 ± 0.006°
• γ: 90°
• Cell volume: 1957.9 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No