Information card for entry 1519822

Structure parameters

• Formula: C11 H22 Cl4 N3 O2 P3
• Calculated formula: C11 H22 Cl4 N3 O2 P3
• SMILES: C1C(COP2(=NP(=NP(=N2)(Cl)Cl)(O1)Cl)Cl)(CCCC)CCCC
• Title of publication: C11H22Cl4N3O2P3
• Authors of publication: Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 324
• a: 10.6315 ± 0.0002 Å
• b: 12.0869 ± 0.0002 Å
• c: 15.6257 ± 0.0003 Å
• α: 90°
• β: 101.585 ± 0.001°
• γ: 90°
• Cell volume: 1967.03 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No