Information card for entry 7703354

Structure parameters

• Formula: C40 H43 Br2 N16 O11 Sm
• Calculated formula: C40 H43 Br2 N16 O11 Sm
• 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: 13.0011 ± 0.0001 Å
• b: 13.0011 ± 0.0001 Å
• c: 46.6691 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6831.57 ± 0.09 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No