Information card for entry 7100033

Structure parameters

• Formula: C30 H42 O12
• Calculated formula: C30 H42 O12
• SMILES: O(C(=O)c1cc2OCCOCCOCCOCCOc3cccc(OCCOCCOCCOCCOc(c1)c2)c3)C
• Title of publication: Host folding during the formation of a taco complex
• Authors of publication: Feihe Huang; Matthew Lam; Eric J. Mahan; Arnold L. Rheingold; Harry W. Gibson
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.9525 ± 0.0003 Å
• b: 11.207 ± 0.0002 Å
• c: 25.0146 ± 0.0004 Å
• α: 90°
• β: 97.6555 ± 0.0004°
• γ: 90°
• Cell volume: 3043.06 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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