Information card for entry 7041427

Structure parameters

• Formula: C23 H28 B10
• Calculated formula: C23 H28 B10
• SMILES: [C]1234(Cc5ccc(cc5)/C=C/c5ccccc5)[BH]567[C]89%10(c%11ccccc%11)[BH]%1146[BH]463[BH]3%122[BH]215[BH]15%12[BH]%1263[BH]8%114[BH]%105%12[BH]7921
• 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: 11.453 ± 0.001 Å
• b: 7.2953 ± 0.0006 Å
• c: 27.575 ± 0.002 Å
• α: 90°
• β: 97.317 ± 0.008°
• γ: 90°
• Cell volume: 2285.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2676
• Weighted residual factors for all reflections included in the refinement: 0.2813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No