Information card for entry 4020294

Structure parameters

• Formula: C22 H22 Cl2 N2 O2
• Calculated formula: C22 H22 Cl2 N2 O2
• SMILES: c1ccc(cc1)[n+]1ccc(cc1)c1cc[n+](c2ccccc2)cc1.O.[Cl-].O.[Cl-]
• Authors of publication: William W. Porter, III; Thomas P. Vaid
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5028 - 5035
• a: 17.2719 ± 0.0009 Å
• b: 7.3616 ± 0.0004 Å
• c: 17.7619 ± 0.0009 Å
• α: 90°
• β: 115.421 ± 0.001°
• γ: 90°
• Cell volume: 2039.74 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No