Information card for entry 2217804

Structure parameters

• Chemical name: 2,3-Bis(2-chlorobenzyl)naphthalene-1,4-dione
• Formula: C24 H16 Cl2 O2
• Calculated formula: C24 H16 Cl2 O2
• SMILES: Clc1ccccc1CC1=C(C(=O)c2c(C1=O)cccc2)Cc1ccccc1Cl
• Title of publication: 2,3-Bis(2-chlorobenzyl)naphthalene-1,4-dione
• Authors of publication: Huang, Shiliang; Huang, Zhi-Shu; Gu, Lian-Quan; Zhou, Zhongyuan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o593
• a: 9.998 ± 0.001 Å
• b: 10.272 ± 0.001 Å
• c: 18.804 ± 0.002 Å
• α: 90°
• β: 99.071 ± 0.001°
• γ: 90°
• Cell volume: 1907 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes