Information card for entry 1517089

Structure parameters

• Formula: C10.5 H2 Cl5 N3 O2
• Calculated formula: C10.5 H2 Cl5 N3 O2
• Title of publication: Perchloro-2,5,8-triazaphenalenyl radical.
• Authors of publication: Zheng, Shijun; Thompson, Joe D.; Tontcheva, Ana; Khan, Saeed I.; Rubin, Yves
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1861 - 1863
• a: 6.9473 ± 0.0016 Å
• b: 6.2385 ± 0.0015 Å
• c: 15.819 ± 0.004 Å
• α: 100.097 ± 0.004°
• β: 97.56 ± 0.004°
• γ: 104.412 ± 0.004°
• Cell volume: 642.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No