Information card for entry 4101165

Structure parameters

• Formula: C59 H48 Cl6 I N
• Calculated formula: C59 H48 Cl6 I N
• SMILES: [I-].ClCCl.ClCCl.ClCCl.[N+]1(C)(Cc2c(cc3ccccc3c2c2c(c(cc3ccccc23)c2c3c(cccc3)ccc2c2ccccc2)C1)c1c2ccccc2ccc1c1ccccc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 12.717 ± 0.002 Å
• b: 12.918 ± 0.003 Å
• c: 31.47 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5170.1 ± 1.8 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No