Information card for entry 2018784

Structure parameters

• Chemical name: 1,8-dichloroanthracene
• Formula: C14 H8 Cl2
• Calculated formula: C14 H8 Cl2
• SMILES: Clc1cccc2cc3cccc(Cl)c3cc12
• Title of publication: Two polymorphs of 1,8-dichloroanthracene
• Authors of publication: Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 199 - 203
• a: 15.331 ± 0.002 Å
• b: 3.8621 ± 0.0005 Å
• c: 18.087 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1070.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No