Information card for entry 4331157

Structure parameters

• Formula: C17 H18 Cl4 N6 O2 P4
• Calculated formula: C17 H18 Cl4 N6 O2 P4
• SMILES: N1=P(N=[P@@]23N=[P@@]4(N=P1(Cl)Cl)N(Cc1ccccc1O4)CCCN2Cc1ccccc1O3)(Cl)Cl
• Title of publication: Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes
• Authors of publication: Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12841 - 12856
• a: 9.4186 ± 0.0003 Å
• b: 12.1307 ± 0.0004 Å
• c: 21.1905 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2421.1 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No