Information card for entry 4119121

Structure parameters

• Formula: C33 H40 N4 O4
• Calculated formula: C33 H40 N4 O4
• SMILES: C1NC(=O)c2nc(ccc2)C(=O)NCc2ccc(cc2)OCCCCCCCCCCOc2ccc1cc2.N#CC
• Title of publication: Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes
• Authors of publication: Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 10
• Pages of publication: 3762 - 3771
• a: 10.22 ± 0.0014 Å
• b: 15.396 ± 0.003 Å
• c: 19.845 ± 0.003 Å
• α: 101.182 ± 0.004°
• β: 90.581 ± 0.004°
• γ: 100.776 ± 0.004°
• Cell volume: 3005.8 ± 0.9 ų
• 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: 0.052
• Duplicate of: 4104023
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No