Information card for entry 7101041

Structure parameters

• Formula: C100 H106 N4 O23 P4 S4
• Calculated formula: C100 H104 N4 O23 P4 S4
• SMILES: S1c2c(c(Sc3c(c(Sc4c(c(Sc5c(c1cc(NC(=O)CP(=O)(c1ccccc1)c1ccccc1)c5)O)cc(NC(=O)CP(=O)(c1ccccc1)c1ccccc1)c4)O)cc(NC(=O)CP(=O)(c1ccccc1)c1ccccc1)c3)O)cc(NC(=O)CP(=O)(c1ccccc1)c1ccccc1)c2)O.O.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 22.176 ± 0.0013 Å
• b: 22.176 ± 0.0013 Å
• c: 21.437 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10542.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No