Information card for entry 2203586

Structure parameters

• Chemical name: 1,2,3,5,6,7,8,9-Octachloro-cyclopenta[def]phenanthren-4-one
• Formula: C15 Cl8 O
• Calculated formula: C15 Cl8 O
• SMILES: Clc1c(Cl)c(Cl)c2c3c1c(Cl)c(Cl)c1c3c(c2=O)c(c(c1Cl)Cl)Cl
• Title of publication: 1,2,3,5,6,7,8,9-Octachlorocyclopenta[<i>def</i>]phenanthren-4-one
• Authors of publication: Ying Peng; Su-Yuan Xie; Shun-Liu Deng; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o899 - o900
• a: 22.979 ± 0.005 Å
• b: 8.718 ± 0.0017 Å
• c: 15.697 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3144.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes