Information card for entry 7204767

Structure parameters

• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• Title of publication: Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif
• Authors of publication: Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 5
• a: 10.596 ± 0.005 Å
• b: 9.766 ± 0.004 Å
• c: 35.351 ± 0.011 Å
• α: 90°
• β: 94.96 ± 0.02°
• γ: 90°
• Cell volume: 3644 ± 3 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 2.26
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No