Information card for entry 8101433

Structure parameters

• Formula: C74 H80 O14
• Calculated formula: C74 H80 O14
• SMILES: O1CCOCCOc2c(cccc2)c2c(OCCOCCOc3c4Cc5c6OCCOCCOc7c(cccc7)c7c(OCCOCCOc8c(Cc3ccc4)cccc8Cc3c1c(ccc3)Cc6ccc5)cccc7)cccc2.O=C(C)C.O=C(C)C
• Title of publication: Crystal structure of a new calix[4]arene-crown including a diphenylenespacer, C~68~H~68~O~12~ · 2CH~3~COCH~3~
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Asfari, Zouhair; Vicens, Jacques
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 129 - 131
• a: 10.2616 ± 0.0008 Å
• b: 14.652 ± 0.002 Å
• c: 21.824 ± 0.003 Å
• α: 102.612 ± 0.001°
• β: 99.963 ± 0.001°
• γ: 98.882 ± 0.001°
• Cell volume: 3090 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2227
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No