Information card for entry 4122319

Structure parameters

• Formula: C20 H28 N2 O4
• Calculated formula: C20 H28 N2 O4
• SMILES: [O-]C(=O)\C=C\C=C\C.[O-]C(=O)\C=C\C=C\C.[NH3+]Cc1ccc(C[NH3+])cc1
• Title of publication: Synchronized Propagation Mechanism for Crystalline-State Polymerization of p-Xylylenediammonium Disorbate
• Authors of publication: Nagahama, Sadamu; Matsumoto, Akikazu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Journal issue: 49
• Pages of publication: 12176 - 12181
• a: 5.6799 ± 0.0005 Å
• b: 16.997 ± 0.002 Å
• c: 4.9876 ± 0.0005 Å
• α: 90.03 ± 0.002°
• β: 96.11 ± 0.003°
• γ: 93.385 ± 0.003°
• Cell volume: 477.93 ± 0.09 ų
• Cell temperature: 296.1 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: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.732
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4115836
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No