Information card for entry 8105726

Structure parameters

• Formula: C25 H30 O6
• Calculated formula: C25 H30 O6
• Title of publication: Crystal structure of (E)-1-(4-(3,5-dimethoxystyryl)phenyl)-7-ethylheptanedioate, C25H30O6
• Authors of publication: Zhang, Lilei; Hu, Jiamin; Qiao, Yumeng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 471 - 473
• a: 7.556 ± 0.002 Å
• b: 37.198 ± 0.012 Å
• c: 8.113 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2280.3 ± 1.1 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No