Information card for entry 8101161

Structure parameters

• Formula: C70 H90 N2 O6
• Calculated formula: C70 H90 N2 O6
• SMILES: O(CC(=O)N(CC)CC)c1c2cc(cc1Cc1c(OCc3ccccc3)c(Cc3c(OCC(=O)N(CC)CC)c(Cc4c(OCc5ccccc5)c(C2)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Crystal structure of 5,11,17,23-tetra(tert-butyl)-25,27-di(phenylmethoxy)- 26,28-di(diethylacetamido)calix[4]arene, C~70~H~90~N~2~O~6~
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Abidi, Rym; Baklouti, Lassaad; Asfari, Zouhair; Vicens, Jacques
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 65 - 68
• a: 15.4958 ± 0.0009 Å
• b: 17.9197 ± 0.001 Å
• c: 22.2069 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6166 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.062
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No