Information card for entry 1519842

Structure parameters

• Formula: C16 H25 Cl3 N5 P3
• Calculated formula: C16 H25 Cl3 N5 P3
• SMILES: c1(ccccc1)P1(=NP(=NP(=N1)(Cl)Cl)(N1CCCCC1)Cl)N1CCCCC1
• Title of publication: C16H25Cl3N5P3
• Authors of publication: Shaw, R.A.; Davies, David B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 305
• a: 9.4791 ± 0.0002 Å
• b: 10.2283 ± 0.0002 Å
• c: 11.4144 ± 0.0003 Å
• α: 88.423 ± 0.002°
• β: 78.172 ± 0.002°
• γ: 79.694 ± 0.002°
• Cell volume: 1065.66 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction 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: 0.0368
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No