Information card for entry 2000679

Structure parameters

• Formula: C28 H40 N4 O2
• Calculated formula: C28 H40 N4 O2
• SMILES: Oc1c2cc(C)cc1CN1CCCN(Cc3cc(C)cc(c3O)CN3C(N(CCC3)C2)C)C1C
• Title of publication: Structure of a tetratertiaryamino-diphenolato macrocyclic ligand
• Authors of publication: Venkatasubramanian, K.; Paul, P.; Nanda, K. K.; Adhikary, B.; Nag, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1440 - 1442
• a: 12.529 ± 0.001 Å
• b: 13.068 ± 0.001 Å
• c: 15.815 ± 0.001 Å
• α: 90°
• β: 93.58 ± 0.01°
• γ: 90°
• Cell volume: 2584.3 ± 0.3 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No