Information card for entry 2205668

Structure parameters

• Chemical name: (Z)-Ethyl 3-(4-chlorophenyl)-2-[(triphenylphosphoranylidene)amino]prop-2- enoate
• Formula: C29 H25 Cl N O2 P
• Calculated formula: C29 H25 Cl N O2 P
• SMILES: Clc1ccc(cc1)/C=C(\N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
• Title of publication: (<i>Z</i>)-Ethyl 3-(4-chlorophenyl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate
• Authors of publication: Xiao-Bo Huang; Jin-Chang Ding; Miao-Chang Liu; Xi-Chang Zhang; Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1261 - o1262
• a: 10.4682 ± 0.0008 Å
• b: 17.7551 ± 0.0013 Å
• c: 14.1264 ± 0.001 Å
• α: 90°
• β: 106.058 ± 0.001°
• γ: 90°
• Cell volume: 2523.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1096
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No