Information card for entry 2012441

Structure parameters

• Formula: C19 H26 Cl N6 P3
• Calculated formula: C57 H78 Cl3 N18 P9
• Title of publication: Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative
• Authors of publication: Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o51 - o54
• a: 10.083 ± 0.002 Å
• b: 12.77 ± 0.003 Å
• c: 25.816 ± 0.005 Å
• α: 95.64 ± 0.03°
• β: 96.98 ± 0.03°
• γ: 92.07 ± 0.03°
• Cell volume: 3279.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes