Information card for entry 7203272

Structure parameters

• Formula: C16.5 H27.5 O2
• Calculated formula: C16.5 H28.5 O2
• Title of publication: Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule
• Authors of publication: Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 250
• a: 13.773 ± 0.002 Å
• b: 13.773 ± 0.002 Å
• c: 6.998 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1149.6 ± 0.4 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No