Information card for entry 8101490

Structure parameters

• Formula: C91 H135 Cl3 N3 O11.5
• Calculated formula: C91.04 H116.5 Cl3 N3 O11.5
• Title of publication: Crystal structure of 1,3,5-trimethoxy-2,4,6-triamide-calix[6]arene- chloroform‒ethanol‒water (1/1/1.5/1), C91H123N3O9 · CHCl3 · 1.5C2H5OH · H2O
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Abidi, Rym; Asfari, Zouhair; Vicens, Jacques
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 157 - 160
• a: 28.6028 ± 0.0008 Å
• b: 16.2921 ± 0.0006 Å
• c: 40.5413 ± 0.0013 Å
• α: 90°
• β: 91.113 ± 0.002°
• γ: 90°
• Cell volume: 18889 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2254
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No