Information card for entry 1504438

Structure parameters

• Formula: C34.5 H22 Br2 O2
• Calculated formula: C34.5 H22 Br2 O2
• SMILES: Brc1cc2c(cc1)c1ccc(Br)cc1C12c2c(Oc3cc(Oc4ccccc4)ccc13)cccc2.Cc1ccccc1
• Title of publication: “One-Pot” Synthesis of a Thermally Stable Blue Emitter: Poly[spiro(fluorene-9,9′-(2′-phenoxy-xanthene)]
• Authors of publication: McFarlane, Shaune L.; Coumont, Leah S.; Piercey, Davin G.; McDonald, Robert; Veinot, Jonathan G. C.
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 7780
• a: 9.024 ± 0.0006 Å
• b: 10.6443 ± 0.0007 Å
• c: 15.295 ± 0.001 Å
• α: 109.647 ± 0.0008°
• β: 94.2604 ± 0.0009°
• γ: 93.674 ± 0.0009°
• Cell volume: 1373.58 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No