Information card for entry 4348047

Structure parameters

• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: O1C(=N[C@@H](C(C)C)C1)c1nc(C(=O)c2ccccc2)ccc1
• Title of publication: Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.
• Authors of publication: Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6670 - 6678
• a: 19.6279 ± 0.0013 Å
• b: 6.5495 ± 0.0004 Å
• c: 12.9494 ± 0.0009 Å
• α: 90°
• β: 111.225 ± 0.005°
• γ: 90°
• Cell volume: 1551.76 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No