Information card for entry 7703352

Structure parameters

• Formula: C38 H47 Br2 N14 O14 Yb
• Calculated formula: C38 H47 Br2 N14 O14 Yb
• Title of publication: A designed and potentially decadentate ligand for use in lanthanide(iii) catalysed biomass transformations: targeting diastereoselective trans-4,5-diaminocyclopentenone derivatives.
• Authors of publication: Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2331 - 2336
• a: 10.3185 ± 0.0003 Å
• b: 16.0985 ± 0.0005 Å
• c: 16.1412 ± 0.0005 Å
• α: 118.099 ± 0.002°
• β: 96 ± 0.002°
• γ: 92.008 ± 0.002°
• Cell volume: 2341.39 ± 0.13 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No