Information card for entry 2230559

Structure parameters

• Chemical name: 1,1-(Biphenyl-2,2'-diyldioxy)-3,3,5,5-tetrakis(4- bromomethylphenoxy)cyclotriphosphazene
• Formula: C40 H32 Br4 N3 O6 P3
• Calculated formula: C40 H32 Br4 N3 O6 P3
• SMILES: BrCc1ccc(cc1)OP1(=NP2(=NP(=N1)(Oc1ccc(cc1)CBr)Oc1ccc(cc1)CBr)Oc1ccccc1c1ccccc1O2)Oc1ccc(cc1)CBr
• Title of publication: 1,1-(Biphenyl-2,2'-diyldioxy)-3,3,5,5-tetrakis(4-bromomethylphenoxy)cyclotriphosphazene
• Authors of publication: Han, Rui; Chai, Mei-Mei; Yang, Jun-Liang; Ye, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1298
• a: 10.991 ± 0.002 Å
• b: 28.417 ± 0.006 Å
• c: 14.008 ± 0.003 Å
• α: 90°
• β: 105.47 ± 0.03°
• γ: 90°
• Cell volume: 4216.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1332
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1915
• 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: Yes