Information card for entry 4020442

Structure parameters

• Formula: C66 H99 Cl4 Na O16
• Calculated formula: C66.007 H98 Cl4 Na O16
• SMILES: C1(=O)O[Na]23456[OH][C@@H](C[C@@H]7CCC[C@H](C1(C)C)O7)C[C@@H]1[C@H](CC[C@H]7O[C@H](CCC7)CCCc7cccc(O)c7C(=[O]2)O[C@H](C[C@H](C[C@H]2O[C@H](CCC2)C(C(=O)O3)(C)C)[OH]6)[C@@H](C)CC[C@H]2O[C@@H](CCCc3c(c(ccc3)[OH]4)C(=[O]5)O1)CCC2)C.C(Cl)Cl.C(Cl)Cl
• Authors of publication: Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6321 - 6329
• a: 13.427 ± 0.003 Å
• b: 20.167 ± 0.004 Å
• c: 13.818 ± 0.003 Å
• α: 90°
• β: 112.033 ± 0.004°
• γ: 90°
• Cell volume: 3468.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No