Information card for entry 2204100

Structure parameters

• Chemical name: 4,4,6,6-Tetrachloro-1',3'-[2,2'-(3-oxapentane-1,5-dioxy)dibenzyl]- 2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene-2-spiro-2'-1,3,2-diazaphospholane benzene hemisolvate
• Formula: C23 H27 Cl4 N5 O3 P3
• Calculated formula: C23 H27 Cl4 N5 O3 P3
• SMILES: C1c2ccccc2OCCOCCOc2ccccc2CN2P3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)N1CC2.c1ccccc1
• Title of publication: 4,4,6,6-Tetrachloro-1',3'-[2,2'-(3-oxapentane-1,5-dioxy)dibenzyl]- 2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene-2-spiro-2'-1,3,2-diazaphospholane benzene hemisolvate
• Authors of publication: Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1369 - o1372
• a: 18.531 ± 0.005 Å
• b: 13.431 ± 0.003 Å
• c: 24.043 ± 0.004 Å
• α: 90°
• β: 95.23 ± 0.02°
• γ: 90°
• Cell volume: 5959 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No