Information card for entry 7204851

Structure parameters

• Common name: dichloroanthracene:dibromoanthracene
• Chemical name: dichloroanthracene:dibromoanthracene
• Formula: C14 H8 Br0.5 Cl1.5
• Calculated formula: C14 H8 Br0.4972 Cl1.5028
• 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: 3.8629 ± 0.0009 Å
• b: 8.743 ± 0.002 Å
• c: 16.515 ± 0.004 Å
• α: 105.203 ± 0.004°
• β: 90.179 ± 0.005°
• γ: 100.495 ± 0.005°
• Cell volume: 528.5 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No