Information card for entry 7041423

Structure parameters

• Formula: C10 H19 B10 I
• Calculated formula: C10 H19 B10 I
• SMILES: Ic1ccc(C[C]2345[BH]678[C]9%10%11(C)[BH]%1226[BH]263[BH]3%134[BH]457[BH]57%13[BH]%1363[BH]9%122[BH]%117%13[BH]8%1045)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: 7.753 ± 0.0001 Å
• b: 17.9867 ± 0.0003 Å
• c: 11.8559 ± 0.0002 Å
• α: 90°
• β: 98.493 ± 0.002°
• γ: 90°
• Cell volume: 1635.19 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No