Information card for entry 4339689

Structure parameters

• Chemical name: 4,4,6,6-Tetrachloro-3,4-dihydro-spiro[1,3,2-naphthoxazaphosphorine- [2(lambda)**5,4(lambda)**5,6(lambda)**5][1,3,5,2,4,6]-triazatriphosphorine
• Formula: C11 H9 Cl4 N4 O P3
• Calculated formula: C11 H9 Cl4 N4 O P3
• SMILES: ClP1(Cl)=NP(Cl)(Cl)=NP2(Oc3c(CN2)c2c(cc3)cccc2)=N1
• Title of publication: Phosphorus-nitrogen compounds. 14. Synthesis, stereogenism, and structural investigations of novel n/o spirocyclic phosphazene derivatives.
• Authors of publication: Ilter, Elif Ece; Asmafiliz, Nuran; Kiliç, Zeynel; Isiklan, Muhammet; Hökelek, Tuncer; Caylak, Nagihan; Sahin, Ertan
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9931 - 9944
• a: 8.2643 ± 0.0009 Å
• b: 12.545 ± 0.002 Å
• c: 18.595 ± 0.003 Å
• α: 107.546 ± 0.013°
• β: 98.551 ± 0.012°
• γ: 97.4 ± 0.011°
• Cell volume: 1786.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No