Information card for entry 2203678

Structure parameters

• Chemical name: 6',6'-dichloro-3,3''etheno-3,4,3'',4''-tetrahydro-2H-1,3-benzoxazine-2-spiro- 2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)-4'-spiro-2''-2H-1,3-benzoxazine
• Formula: C16 H16 Cl2 N5 O2 P3
• Calculated formula: C16 H16 Cl2 N5 O2 P3
• SMILES: ClP1(Cl)=NP23Oc4c(CN3CCN3P(Oc5ccccc5C3)(N=2)=N1)cccc4
• Title of publication: 6',6'-Dichloro-3,3''-etheno-3,4,3'',4''-tetrahydro-2<i>H</i>-1,3-benzoxazine-2-spiro-2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)-4'-spiro-2''-2<i>H</i>-1,3-benzoxazine
• Authors of publication: Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Natsagdorj, Amgalan; Demiriz, Şemsay; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o795 - o797
• a: 15.8433 ± 0.0012 Å
• b: 6.6557 ± 0.0014 Å
• c: 20.1339 ± 0.001 Å
• α: 90°
• β: 112.814 ± 0.005°
• γ: 90°
• Cell volume: 1957 ± 0.5 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: 0.159
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes