Information card for entry 4500722

Structure parameters

• Chemical name: EE-iPrAm
• Formula: C12 H24 N2 O4
• Calculated formula: C12 H24 N2 O4
• SMILES: C(=C\C(=O)[O-])/C=C/C(=O)[O-].C(C)(C)[NH3+].C(C)(C)[NH3+]
• Title of publication: Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State
• Authors of publication: Nishizawa, Natsuko; Nakamura, Junya; Matsumoto, Akikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3442
• a: 6.4631 ± 0.0017 Å
• b: 5.9109 ± 0.0019 Å
• c: 20.402 ± 0.008 Å
• α: 90°
• β: 97.1 ± 0.03°
• γ: 90°
• Cell volume: 773.4 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No