Information card for entry 4101227

Structure parameters

• Formula: C104 H116 B K N4 O6
• Calculated formula: C104 H116 B K N4 O6
• SMILES: [K]123456789%10([O]%11CCCC[O]1c1c([c]%126[c]5([c]5%10[c]9([c]68[c]7%12c7c([O]2CCCCOc2c6cc(cc2)C(C)C)ccc(c7)C(C)C)c2c([O]3CCCC[O]4c3c5cc(cc3)C(C)C)ccc(c2)C(C)C)c2c%11ccc(c2)C(C)C)cc(cc1)C(C)C)[N]#CC.N#CC.N#CC.N#CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 14.3846 ± 0.0016 Å
• b: 20.739 ± 0.002 Å
• c: 30.895 ± 0.004 Å
• α: 90°
• β: 100.687 ± 0.002°
• γ: 90°
• Cell volume: 9057 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No