Information card for entry 7216559

Structure parameters

• Formula: C16 H30 O3
• Calculated formula: C16 H30 O3
• Title of publication: Co-crystalline hydrogen bonded solids formed by helical tubuland diols
• Authors of publication: Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 98
• Pages of publication: 591
• a: 7.1 ± 0.001 Å
• b: 13.567 ± 0.001 Å
• c: 16.783 ± 0.003 Å
• α: 90°
• β: 106.83 ± 0.007°
• γ: 90°
• Cell volume: 1547.4 ± 0.4 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: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No