Information card for entry 7204850

Structure parameters

• Common name: dichloroanthracene
• Chemical name: dichloroanthracene
• Formula: C14 H8 Cl2
• Calculated formula: C14 H8 Cl2
• Title of publication: Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene
• Authors of publication: Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 83
• a: 3.9004 ± 0.0008 Å
• b: 8.7632 ± 0.0018 Å
• c: 16.508 ± 0.003 Å
• α: 105.33 ± 0.03°
• β: 90.09 ± 0.03°
• γ: 100.97 ± 0.03°
• Cell volume: 533.4 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No