Information card for entry 7204766

Structure parameters

• Formula: C16 H28 O4
• Calculated formula: C16 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: 7.198 ± 0.005 Å
• b: 12.957 ± 0.005 Å
• c: 18.653 ± 0.007 Å
• α: 90°
• β: 111.69 ± 0.03°
• γ: 90°
• Cell volume: 1616.5 ± 1.5 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: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No