Information card for entry 7041421

Structure parameters

• Formula: C32 H44 B20
• Calculated formula: C32 H44 B20
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]258([C]23%11([BH]351[BH]1%132[BH]29%12[BH]831[BH]465[BH]7%1028)c1ccccc1)Cc1ccc(cc1)/C=C/c1ccc(C[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[C]458([BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)c2ccccc2)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: 14.4906 ± 0.0003 Å
• b: 12.2981 ± 0.0002 Å
• c: 10.3844 ± 0.0001 Å
• α: 90°
• β: 91.157 ± 0.001°
• γ: 90°
• Cell volume: 1850.19 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No