Information card for entry 4100465

Structure parameters

• Formula: C156 H117 K O9
• Calculated formula: C156 H117 K O9
• SMILES: [c-]12c3c4c5c1C1(c6c7C5(c5c8C4(c4c9C3(c3c%10C2(c2c1c1c6c6c%11c7c5c5c7c8c4c4c8c9c3c3c9c%10c2c2c1c1c6c6c%11c5c5c7c4c4c8c3c3c9c2c1c1c3c4c5c61)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1.C1CCCO1
• Authors of publication: Matsuo, Yutaka; Nakamura, Eiichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 20.65 ± 0.003 Å
• b: 27.279 ± 0.0016 Å
• c: 19.546 ± 0.003 Å
• α: 90°
• β: 91.404 ± 0.005°
• γ: 90°
• Cell volume: 11007 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No