Information card for entry 7126270

Structure parameters

• Formula: C28 H34 N2 O2
• Calculated formula: C28 H34 N2 O2
• SMILES: c1(ccc(cc1[C@H]1[C@H](c2cc(ccc2O)C(C)(C)C)Nc2c(cccc2)N1)C(C)(C)C)O.c1(ccc(cc1[C@@H]1[C@@H](c2cc(ccc2O)C(C)(C)C)Nc2c(cccc2)N1)C(C)(C)C)O
• Title of publication: Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.
• Authors of publication: Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 35
• Pages of publication: 4844 - 4847
• a: 16.29085 ± 0.00017 Å
• b: 20.8151 ± 0.0002 Å
• c: 23.2057 ± 0.0003 Å
• α: 90°
• β: 105.286 ± 0.0012°
• γ: 90°
• Cell volume: 7590.55 ± 0.15 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 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: 0.0646
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No