Information card for entry 7203278

Structure parameters

• Formula: C19 H36 O3
• Calculated formula: C19 H36 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: 6.991 ± 0.004 Å
• b: 13.781 ± 0.006 Å
• c: 20.216 ± 0.008 Å
• α: 90°
• β: 97.6 ± 0.03°
• γ: 90°
• Cell volume: 1930.6 ± 1.6 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: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No