Information card for entry 2237803

Structure parameters

• Chemical name: 2-(4-Methylpyridin-2-yl)-4',4',6',6'-tetrakis(pyrrolidin-1-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: C33 H46 N9 O P3
• Calculated formula: C33 H46 N9 O P3
• SMILES: P12(Oc3ccc4c(cccc4)c3CN2c2nccc(c2)C)=NP(=NP(=N1)(N1CCCC1)N1CCCC1)(N1CCCC1)N1CCCC1
• Title of publication: 2-(4-Methylpyridin-2-yl)-4',4',6',6'-tetrakis(pyrrolidin-1-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: o994 - o995
• a: 9.583 ± 0.0002 Å
• b: 10.9142 ± 0.0002 Å
• c: 16.8172 ± 0.0003 Å
• α: 79.21 ± 0.002°
• β: 84.542 ± 0.003°
• γ: 74.193 ± 0.002°
• Cell volume: 1660.68 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes