Information card for entry 2018783

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: 19.007 ± 0.0014 Å
• b: 3.8621 ± 0.0003 Å
• c: 15.137 ± 0.0011 Å
• α: 90°
• β: 107.41 ± 0.0015°
• γ: 90°
• Cell volume: 1060.25 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No