Information card for entry 7123818

Structure parameters

• Formula: C14 H28 N2 O4
• Calculated formula: C14 H28 N2 O4
• SMILES: [O-]C(=O)/C=C/C=C/C(=O)[O-].[NH3+]CCCC.[NH3+]CCCC
• 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: 5.5246 ± 0.0008 Å
• b: 7.433 ± 0.001 Å
• c: 10.865 ± 0.002 Å
• α: 98.88 ± 0.01°
• β: 100.86 ± 0.01°
• γ: 104.38 ± 0.01°
• Cell volume: 414.85 ± 0.12 ų
• Cell temperature: 296.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No