Information card for entry 8101342

Structure parameters

• Formula: C92 H120 O20
• Calculated formula: C92 H120 O20
• SMILES: Oc1cc2c(OCCC)c(c1)Cc1c(OCCC)c(cc(O)c1)Cc1c(OCCC)c(cc(O)c1)Cc1c(OCCC)c(cc(O)c1)Cc1c(OCCC)c(cc(O)c1)Cc1c(OCCC)c(cc(O)c1)Cc1c(OCCC)c(cc(O)c1)Cc1c(OCCC)c(cc(O)c1)C2.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• Title of publication: Crystal structure of octa(p-hydroxy)octakis(propyloxy)calix[8]arene‒ acetone (1/4), C~80~H~96~O~16~ · 4CH~3~COCH~3~
• Authors of publication: Leverd, Pascal C.; Huc, Vincent; Palacin, Serge; Nierlich, Martine
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 549 - 552
• a: 16.162 ± 0.003 Å
• b: 16.234 ± 0.003 Å
• c: 18.301 ± 0.004 Å
• α: 75.82 ± 0.03°
• β: 79.79 ± 0.03°
• γ: 71.16 ± 0.03°
• Cell volume: 4380.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No