Information card for entry 2006743

Structure parameters

• Chemical name: p-dichlorobenzene
• Formula: C6 H4 Cl2
• Calculated formula: C6 H4 Cl2
• SMILES: Clc1ccc(cc1)Cl
• Title of publication: α-Phase <i>p</i>-Dichlorobenzene at 293K
• Authors of publication: Estop, Eugènia; Alvarez-Larena, Angel; Belaaraj, Abdesselam; Solans, Xavier; Labrador, Manuel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1932 - 1935
• a: 14.762 ± 0.003 Å
• b: 5.832 ± 0.002 Å
• c: 4.039 ± 0.002 Å
• α: 90°
• β: 112.78 ± 0.02°
• γ: 90°
• Cell volume: 320.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.1361
• Weighted residual factors for significantly intense reflections: 0.1355
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No