Information card for entry 7012581

Structure parameters

• Common name: LH.1Me2CO
• Formula: C32 H38 N2 O2
• Calculated formula: C32 H38 N2 O2
• SMILES: Oc1c(c2[nH]c(c(n2)c2ccccc2)c2ccccc2)cc(cc1C(C)(C)C)C(C)(C)C.O=C(C)C
• Title of publication: A phenol?imidazole pro-ligand that can exist as a phenoxyl radical, alone and when complexed to copper(ii) and zinc(ii)Based on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.
• Authors of publication: Benisvy, Laurent; Blake, Alexander J.; Collison, David; Stephen Davies, E.; David Garner, C.; McInnes, Eric J. L.; McMaster, Jonathan; Whittaker, Gavin; Wilson, Claire
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1975
• a: 18.059 ± 0.002 Å
• b: 8.5608 ± 0.0009 Å
• c: 19.135 ± 0.002 Å
• α: 90°
• β: 106.566 ± 0.002°
• γ: 90°
• Cell volume: 2835.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1068
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No