Information card for entry 7025209

Structure parameters

• Common name: Monospiro phosphazene 3a
• Formula: C8 H9 Cl4 N4 O P3
• Calculated formula: C8 H9 Cl4 N4 O P3
• SMILES: P12(N[C@H](c3ccccc3)CO1)=NP(Cl)(Cl)=NP(Cl)(Cl)=N2
• 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: 13.5641 ± 0.0014 Å
• b: 13.5641 ± 0.0014 Å
• c: 16.992 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3126.3 ± 0.9 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No