Information card for entry 2019170

Structure parameters

• Chemical name: Diethyl [(4-bromoanilino)(4-ethynylphenyl)methyl]phosphonate
• Formula: C19 H21 Br N O3 P
• Calculated formula: C19 H21 Br N O3 P
• 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: 10.9339 ± 0.0007 Å
• b: 16.5179 ± 0.0011 Å
• c: 11.1325 ± 0.0007 Å
• α: 90°
• β: 104.114 ± 0.001°
• γ: 90°
• Cell volume: 1949.9 ± 0.2 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No