Information card for entry 7200827

Structure parameters

• Formula: C22 H42 O5
• Calculated formula: C22 H41.5 O5
• Title of publication: Alternative crystal forms produced by a dialcohol inclusion host : Resolutions and polymorphs. Part 3
• Authors of publication: Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1275
• a: 12.047 ± 0.002 Å
• b: 14.947 ± 0.001 Å
• c: 13.02 ± 0.002 Å
• α: 90°
• β: 111.404 ± 0.007°
• γ: 90°
• Cell volume: 2182.8 ± 0.5 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: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No