Information card for entry 7200968

Structure parameters

• Formula: C14 H6 Br2 O2
• Calculated formula: C14 H6 Br2 O2
• SMILES: Brc1cc2C(=O)C(=O)c3cc(Br)ccc3c2cc1
• Title of publication: Synthesis of electron-accepting polymers containing phenanthra-9,10-quinone units
• Authors of publication: Gautrot, Julien E.; Hodge, Philip; Helliwell, Madeleine; Raftery, James; Cupertino, Domenico
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 24
• Pages of publication: 4148
• a: 7.307 ± 0.002 Å
• b: 7.976 ± 0.002 Å
• c: 11.348 ± 0.002 Å
• α: 73.87 ± 0.003°
• β: 77.321 ± 0.004°
• γ: 64.943 ± 0.003°
• Cell volume: 571.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1561
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No