Information card for entry 4021328

Structure parameters

• Formula: C22 H26 Cl2 N4 O10
• Calculated formula: C22 H26 Cl2 N4 O10
• SMILES: [O-]c1c2C=[NH+]CC[NH+]=Cc3cc(cc(C=[NH+]CC[NH+]=Cc1cc(c2)C)c3[O-])C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Efficient Proton-Templated Synthesis of 18- to 38-Membered Tetraimino(amino)diphenol Macrocyclic Ligands: Structural Features and Spectroscopic Properties
• Authors of publication: Bula Dutta; Pradip Bag; Bibhutosh Adhikary; Ulrich Flörke; Kamalaksha Nag
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5419 - 5427
• a: 17.421 ± 0.003 Å
• b: 14.72 ± 0.002 Å
• c: 20.772 ± 0.004 Å
• α: 90°
• β: 107.49 ± 0.01°
• γ: 90°
• Cell volume: 5080.5 ± 1.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No