Information card for entry 4316133

Structure parameters

• Formula: C36 H42 N7 O2 P3
• Calculated formula: C36 H42 N7 O2 P3
• SMILES: c12ccccc1CN(Cc1ccccc1)P1(=NP3(=NP(=N1)(N1CCCC1)N1CCCC1)N(Cc1c(cccc1)O3)Cc1ccccc1)O2
• Title of publication: Phosphorus-Nitrogen Compounds. 21. Syntheses, Structural Investigations, Biological Activities, and DNA Interactions of New N/O Spirocyclic Phosphazene Derivatives. The NMR Behaviors of Chiral Phosphazenes with Stereogenic Centers upon the Addition of Chiral Solvating Agents
• Authors of publication: Muhammet Işiklan; Nuran Asmafiliz; Ezgi Elif Özalp; Elif Ece İlter; Zeynel Kiliç; Bünyemin Çoşut; Serkan Yeşilot; Adem Kiliç; Asli Öztürk; Tuncer Hökelek; L. Yasemin Koç Bilir; Leyla Açik; Emel Akyüz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7057 - 7071
• a: 10.8726 ± 0.0002 Å
• b: 26.8581 ± 0.0004 Å
• c: 12.8439 ± 0.0002 Å
• α: 90°
• β: 111.767 ± 0.001°
• γ: 90°
• Cell volume: 3483.22 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No