Information card for entry 2012442

Structure parameters

• Formula: C19 H26 Cl N6 P3
• Calculated formula: C19 H26 Cl N6 P3
• SMILES: c1(ccccc1)P1(c2ccccc2)=NP23=NP(=N1)(NCCCCN3CCCN2)Cl
• 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: 16.163 ± 0.003 Å
• b: 16.298 ± 0.003 Å
• c: 17.401 ± 0.004 Å
• α: 90°
• β: 103.36 ± 0.03°
• γ: 90°
• Cell volume: 4459.8 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes