Information card for entry 8100576

Structure parameters

• Formula: C45 H47 Cl2 N O7
• Calculated formula: C45 H47 Cl2 N O7
• Title of publication: Crystal structure of 5,17-di-t-butyl-25,26,27,28-tetrahydroxy-11,23- (2-hydroxy-5-nitro-1,3-xyleno)-calix[4]arene methylenechloride, C~44~H~45~NO~7~ · CH~2~Cl~2~
• Authors of publication: Paulus, E. F.; Boehmer, V.; O'Sullivan, P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 144 - 146
• a: 10.581 ± 0.002 Å
• b: 26.185 ± 0.005 Å
• c: 14.195 ± 0.003 Å
• α: 90°
• β: 91.75 ± 0.03°
• γ: 90°
• Cell volume: 3931.1 ± 1.3 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 5
• 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: Yes
• Has Fobs: No