Information card for entry 2205040

Structure parameters

• Chemical name: (Z)-Ethyl 3-phenyl-2-[(triphenylphosphoranylidene)amino]prop-2-enoate
• Formula: C29 H26 N O2 P
• Calculated formula: C29 H26 N O2 P
• SMILES: P(=NC(=C\c1ccccc1)/C(=O)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>Z</i>)-Ethyl 3-phenyl-2-[(triphenylphosphoranylidene)amino]prop-2-enoate
• Authors of publication: Huang, Xiao-Bo; Liu, Miao-Chang; Wu, Hua-Yue; Ding, Jin-Chang; Hu, Mao-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o280 - o281
• a: 10.1918 ± 0.0009 Å
• b: 17.7185 ± 0.0016 Å
• c: 14.1563 ± 0.0013 Å
• α: 90°
• β: 106 ± 0.002°
• γ: 90°
• Cell volume: 2457.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes