Information card for entry 7041425

Structure parameters

• Formula: C22 H40 B20
• Calculated formula: C22 H40 B20
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([C]26%10%12Cc1ccc(cc1)/C=C/c1ccc(C[C]26%10%12[BH]%15%16%17[BH]%18%192[BH]2%206[BH]6%21%10[BH]%10%12%15[BH]%12%15%21[BH]%21%206[BH]6%182[C]2%16%19([BH]%17%10%12[BH]%15%2162)C)cc1)[BH]12%13[BH]69%11[BH]958[C]537([BH]4%141[BH]2695)C
• 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: 12.0182 ± 0.0002 Å
• b: 12.7978 ± 0.0001 Å
• c: 10.9589 ± 0.0001 Å
• α: 90°
• β: 113.436 ± 0.002°
• γ: 90°
• Cell volume: 1546.5 ± 0.04 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: 0.0446
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No