Information card for entry 1506438

Structure parameters

• Formula: C41 H46 Br2 O3
• Calculated formula: C41 H46 Br2 O3
• SMILES: Brc1cc2C3(c4c(c2cc1)ccc(Br)c4)c1ccc(OCCCCCCCC)cc1Oc1cc(OCCCCCCCC)ccc31
• Title of publication: Stable Organic Blue-Light-Emitting Devices Prepared from Poly[spiro(fluorene-9,9‘-xanthene)]
• Authors of publication: Tseng, Ya-Hsien; Shih, Ping-I; Chien, Chen-Han; Dixit, Ajay Kumar; Shu, Ching-Fong; Liu, Yi-Hung; Lee, Gene-Hsiang
• Journal of publication: Macromolecules
• Year of publication: 2005
• Journal volume: 38
• Journal issue: 24
• Pages of publication: 10055
• a: 8.3399 ± 0.0004 Å
• b: 10.5004 ± 0.0005 Å
• c: 20.9724 ± 0.0009 Å
• α: 86.567 ± 0.001°
• β: 83.373 ± 0.001°
• γ: 74.01 ± 0.001°
• Cell volume: 1752.99 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0789
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No