Information card for entry 7203276

Structure parameters

• Formula: C18 H34 O3
• Calculated formula: C18 H34 O3
• 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: 6.908 ± 0.004 Å
• b: 13.833 ± 0.005 Å
• c: 18.981 ± 0.007 Å
• α: 90°
• β: 97.99 ± 0.02°
• γ: 90°
• Cell volume: 1796.2 ± 1.4 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No