Information card for entry 8100263

Structure parameters

• Formula: C42 H46 N2 O12
• Calculated formula: C42 H46 N2 O12
• Title of publication: Crystal structure of 11,23-dinitro-26,28-dipropoxy-25,27-diacetatecalix [4]arene, C~42~H~46~N~2~O~12~, with a particular cone conformation
• Authors of publication: Ehlinger, N.; Vocanson , F.; Lamartine, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 1
• Pages of publication: 87 - 89
• a: 17.121 ± 0.001 Å
• b: 15.416 ± 0.001 Å
• c: 14.774 ± 0.001 Å
• α: 90°
• β: 100.389 ± 0.01°
• γ: 90°
• Cell volume: 3835.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No