Information card for entry 2238094

Structure parameters

• Chemical name: 4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]
• Formula: C17 H14 Cl4 N5 O P3
• Calculated formula: C17 H14 Cl4 N5 O P3
• SMILES: ClP1(Cl)=NP2(Oc3ccc4c(cccc4)c3CN2c2nc(ccc2)C)=NP(Cl)(Cl)=N1
• Title of publication: 4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]
• Authors of publication: Işıklan, Muhammet; Sonkaya, Ömer; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o861 - o862
• a: 21.7784 ± 0.0005 Å
• b: 7.8573 ± 0.0003 Å
• c: 25.1034 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4295.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes