Information card for entry 2212701

Structure parameters

• Chemical name: 6,6,7,7-Tetrachloro-5,6,7,8-tetrahydroquinoline-5,8-dione
• Formula: C9 H3 Cl4 N O2
• Calculated formula: C9 H3 Cl4 N O2
• SMILES: ClC1(Cl)C(Cl)(Cl)C(=O)c2cccnc2C1=O
• Title of publication: 6,6,7,7-Tetrachloro-5,6,7,8-tetrahydroquinoline-5,8-dione
• Authors of publication: Cheng, Yu; An, Lin-Kun; Gu, Lian-Quan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1365 - o1366
• a: 7.6115 ± 0.0004 Å
• b: 10.3015 ± 0.0006 Å
• c: 14.1723 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1111.25 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes