Information card for entry 2210613

Structure parameters

• Chemical name: 3-[α-(2-Hydroxyethylamino)benzylidene]-2-methoxy-2,3-dihydro- 1,2λ^5^-benzoxaphosphinine-2,4-dione
• Formula: C18 H18 N O5 P
• Calculated formula: C18 H18 N O5 P
• SMILES: O1P(=O)(C(C(=O)c2ccccc12)=C(NCCO)c1ccccc1)OC
• Title of publication: 3-[α-(2-Hydroxyethylamino)benzylidene]-2-methoxy-2,3-dihydro-1,2λ^5^-benzoxaphosphinine-2,4-dione
• Authors of publication: Małecka, Magdalena; Budzisz, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4560 - o4562
• a: 19.178 ± 0.003 Å
• b: 9.8913 ± 0.0006 Å
• c: 19.1983 ± 0.0019 Å
• α: 90°
• β: 114.513 ± 0.011°
• γ: 90°
• Cell volume: 3313.6 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes