Information card for entry 2006932

Structure parameters

• Chemical name: bis(4-butoxyphenyl)terephthalate
• Formula: C28 H30 O6
• Calculated formula: C28 H30 O6
• Title of publication: Bis(4-butoxyphenyl) Terephthalate
• Authors of publication: Centore, Roberto; Tuzi, Angela
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 107 - 109
• a: 28.019 ± 0.005 Å
• b: 5.432 ± 0.001 Å
• c: 8.055 ± 0.005 Å
• α: 90°
• β: 95.37 ± 0.06°
• γ: 90°
• Cell volume: 1220.6 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 all reflections: 0.065
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 1.895
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No