Information card for entry 8100108

Structure parameters

• Formula: C53 H77 N3 O11
• Calculated formula: C53 H77 N3 O11
• SMILES: Oc1c2cc(c(O)c1)C(c1c(O)cc(O)c(c1)C(c1c(O)cc(O)c(c1)C(c1c(O)cc(O)c(c1)C2CC(C)C)CC(C)C)CC(C)C)CC(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Crystal structure of rccc-tetrakis-(iso-butyl)-resorcin[4]arene dimethylformamide trisolvate, C~44~H~56~O~8~ · 3(CH~3~)~2~NCHO
• Authors of publication: Liu, Shu-Qun; Zhang, Qian-Feng; Leung, Wa-Hung
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 265 - 268
• a: 10.5985 ± 0.0006 Å
• b: 30.6588 ± 0.0016 Å
• c: 17.0701 ± 0.0009 Å
• α: 90°
• β: 107.574 ± 0.001°
• γ: 90°
• Cell volume: 5287.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: No
• Has Fobs: No