Information card for entry 7043032

Structure parameters

• Formula: C23 H33 N O2
• Calculated formula: C23 H33 N O2
• SMILES: Oc1c(cc(cc1CNCC(O)c1ccccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand
• Authors of publication: Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.3699 ± 0.0005 Å
• b: 14.2034 ± 0.0007 Å
• c: 16.1757 ± 0.0011 Å
• α: 66.445 ± 0.006°
• β: 74.07 ± 0.005°
• γ: 77.25 ± 0.005°
• Cell volume: 2083.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0659
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No