Information card for entry 7123817

Structure parameters

• Formula: C14 H28 N2 O4
• Calculated formula: C14 H28 N2 O4
• Title of publication: One-way EZ-Isomerization of Di(n-butylammonium) (Z,Z)-Muconate under Photoirradiation in the Crystalline State
• Authors of publication: Matsumoto, Akikazu; Miyata, Mikiji; Odani, Toru; Sada, Kazuki
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal volume: 19
• Pages of publication: 2004 - 2005
• a: 5.7715 ± 0.0004 Å
• b: 20.005 ± 0.001 Å
• c: 14.749 ± 0.001 Å
• α: 90°
• β: 96.51 ± 0.004°
• γ: 90°
• Cell volume: 1691.92 ± 0.19 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.925
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No