Information card for entry 8105551

Structure parameters

• Chemical name: (2<i>E</i>,4<i>Z</i>)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate
• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: O(C(=O)C(/C=C/C(=O)OC)=C\Nc1ccccc1)C
• Title of publication: Crystal structure of (2E,4Z)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate, C14H15N1O4
• Authors of publication: Chen, Xiao-Ming; Zhang, Xing-Yu; He, Fu-Lin; Pan, Jun; Jia, Guo-Kai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 87 - 89
• a: 8.2018 ± 0.0004 Å
• b: 11.5512 ± 0.0005 Å
• c: 14.4121 ± 0.0007 Å
• α: 79.242 ± 0.002°
• β: 78.647 ± 0.003°
• γ: 85.496 ± 0.003°
• Cell volume: 1313.93 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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 all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No