Information card for entry 2019173

Structure parameters

• Chemical name: Diethyl [(4-ethynylphenyl)(naphthalen-2-ylamino)methyl]phosphonate
• Formula: C23 H24 N O3 P
• Calculated formula: C23 H24 N O3 P
• SMILES: P(=O)(OCC)(OCC)C(Nc1cc2c(cc1)cccc2)c1ccc(cc1)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: 11.3104 ± 0.001 Å
• b: 11.5194 ± 0.001 Å
• c: 17.8485 ± 0.0016 Å
• α: 82.703 ± 0.001°
• β: 81.943 ± 0.001°
• γ: 64.035 ± 0.001°
• Cell volume: 2064.5 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No