Information card for entry 1504702

Structure parameters

• Formula: C39 H55 O9.5
• Calculated formula: C39 H47 O9.5
• SMILES: Oc1c(c2cc(cc(c2)c2c(O)cc(cc2O)CCCCC)c2c(O)cc(cc2O)CCCCC)c(O)cc(c1)CCCCC.O.O.O.O
• Title of publication: D3h-symmetrical hydrogen-bonding unit as a saccharide recognition and self-assembling module.
• Authors of publication: Abe, Hajime; Horii, Asuka; Matsumoto, Shinya; Shiro, Motoo; Inouye, Masahiko
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2685 - 2688
• a: 31.1124 ± 0.0006 Å
• b: 17.8789 ± 0.0003 Å
• c: 14.6484 ± 0.0003 Å
• α: 90°
• β: 108.937 ± 0.0008°
• γ: 90°
• Cell volume: 7707.2 ± 0.3 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.3881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No