Information card for entry 1502788

Structure parameters

• Formula: C40 H64 B2 Ge O4
• Calculated formula: C40 H64 B2 Ge O4
• SMILES: [Ge]1(c2cc(B3OC(C(O3)(C)C)(C)C)ccc2c2c1cc(B1OC(C(O1)(C)C)(C)C)cc2)(CCCCCCCC)CCCCCCCC
• Title of publication: Germafluorenes: New Heterocycles for Plastic Electronics
• Authors of publication: Allard, Nicolas; Aïch, Réda Badrou; Gendron, David; Boudreault, Pierre-Luc T.; Tessier, Christian; Alem, Salima; Tse, Shing-Chi; Tao, Ye; Leclerc, Mario
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2328
• a: 19.72 ± 0.012 Å
• b: 19.029 ± 0.011 Å
• c: 10.873 ± 0.007 Å
• α: 90°
• β: 94.88 ± 0.009°
• γ: 90°
• Cell volume: 4065 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1845
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No