Information card for entry 7017831

Structure parameters

• Formula: C20 H28 N2 O2
• Calculated formula: C20 H28 N2 O2
• SMILES: Oc1c(CN(Cc2c(O)ccc(c2)C)CCN(C)C)cc(cc1)C
• Title of publication: Lithium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis and structure.
• Authors of publication: Janas, Zofia; Nerkowski, Tomasz; Kober, Ewa; Jerzykiewicz, Lucjan B.; Lis, Tadeusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 442 - 447
• a: 14.82 ± 0.003 Å
• b: 6.049 ± 0.003 Å
• c: 21.294 ± 0.005 Å
• α: 90°
• β: 107.48 ± 0.03°
• γ: 90°
• Cell volume: 1820.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No