Information card for entry 2205828

Structure parameters

• Chemical name: (Z)-Ethyl 3-(4-methoxyphenyl)-2-[(triphenylphosphoranylidene)amino]prop- 2-enoate
• Formula: C30 H28 N O3 P
• Calculated formula: C30 H28 N O3 P
• SMILES: P(=N/C(=C\c1ccc(OC)cc1)C(=O)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>Z</i>)-Ethyl 3-(4-methoxyphenyl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate
• Authors of publication: Ding, Jin-Chang; Huang, Xiao-Bo; Wu, Hua-Yue; Liu, Miao-Chang; Hu, Mao-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1259 - o1260
• a: 10.1565 ± 0.0011 Å
• b: 18.879 ± 0.002 Å
• c: 14.2904 ± 0.0015 Å
• α: 90°
• β: 107.548 ± 0.002°
• γ: 90°
• Cell volume: 2612.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes