Information card for entry 7041426

Structure parameters

• Formula: C22 H40 B20
• Calculated formula: C22 H40 B20
• SMILES: [BH]1234[BH]567[BH]89%10[C]%1136([C]364([BH]4%121[BH]125[BH]278[BH]541[BH]16%12[BH]9%113[BH]%10251)C)Cc1ccc(cc1)/C=C/c1ccc(C[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%14[BH]%156([BH]679[BH]7%102[BH]%11%12%13[BH]%14%1567)[C]5834C)cc1
• Title of publication: Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.
• Authors of publication: Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2091 - 2104
• a: 6.6255 ± 0.0002 Å
• b: 28.5036 ± 0.001 Å
• c: 8.0673 ± 0.0003 Å
• α: 90°
• β: 95.529 ± 0.002°
• γ: 90°
• Cell volume: 1516.43 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No