Information card for entry 7243123

Structure parameters

• Formula: C24 H27 N O5
• Calculated formula: C24 H27 N O5
• SMILES: O(C)c1ccc(cc1)[C@@]1([C@@H]2N(C(=O)OC(C)(C)C)c3c([C@]12C)cccc3)C(=O)OC
• Title of publication: Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation
• Authors of publication: Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 37
• Pages of publication: 22849 - 22858
• a: 9.2258 ± 0.0011 Å
• b: 15.495 ± 0.002 Å
• c: 15.6334 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2234.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No