Information card for entry 7119384

Structure parameters

• Formula: C29 H24 N2 O2
• Calculated formula: C29 H24 N2 O2
• SMILES: O(c1cc2c(c[nH]c2cc1)C(c1c2c([nH]c1)ccc(OC)c2)c1ccc2c(c1)cccc2)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: 9.9468 ± 0.0004 Å
• b: 10.285 ± 0.0005 Å
• c: 11.5735 ± 0.0005 Å
• α: 75.327 ± 0.004°
• β: 82.383 ± 0.004°
• γ: 81.347 ± 0.004°
• Cell volume: 1126.82 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0788
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No