Information card for entry 2019172

Structure parameters

• Chemical name: Diethyl ((4-fluoroanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate
• Formula: C22 H29 F N O3 P Si
• Calculated formula: C22 H29 F N O3 P Si
• SMILES: P(=O)(OCC)(OCC)C(Nc1ccc(F)cc1)c1ccc(cc1)C#C[Si](C)(C)C
• Title of publication: Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates
• Authors of publication: Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1157 - 1163
• a: 8.9633 ± 0.0007 Å
• b: 11.1726 ± 0.0009 Å
• c: 12.6997 ± 0.001 Å
• α: 69.98 ± 0.001°
• β: 87.263 ± 0.001°
• γ: 73.667 ± 0.001°
• Cell volume: 1145.06 ± 0.16 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No