Information card for entry 7025205

Structure parameters

• Common name: Phosphazene 2 with Benzene inclusion
• Chemical name: Phosphazene 2 with Benzene inclusion
• Formula: C15 H30 N6 O3 P3
• Calculated formula: C15 H30 N6 O3 P3
• SMILES: C1[C@@H](CC)NP2(=NP3(=NP4(=N2)N[C@@H](CO4)CC)N[C@@H](CO3)CC)O1.c1ccccc1
• Title of publication: Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.
• Authors of publication: Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5341 - 5348
• a: 10.301 ± 0.009 Å
• b: 13.723 ± 0.012 Å
• c: 14.96 ± 0.013 Å
• α: 89.045 ± 0.015°
• β: 81.827 ± 0.015°
• γ: 88.721 ± 0.015°
• Cell volume: 2093 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No