Information card for entry 7016132

Structure parameters

• Formula: C24 H38 B20
• Calculated formula: C24 H38 B20
• SMILES: [C]1234([C]567(c8ccccc8)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)Cc1cc(ccc1)C[C]1234[C]567(c8ccccc8)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
• Title of publication: Synthesis and fluorescence emission of neutral and anionic di- and tetra-carboranyl compounds.
• Authors of publication: Lerouge, Frédéric; Ferrer-Ugalde, Albert; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Abreu, Arturo; Xochitiotzi, Elba; Farfán, Norberto; Santillan, Rosa; Núñez, Rosario
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7541 - 7550
• a: 33.7783 ± 0.0014 Å
• b: 7.6998 ± 0.0002 Å
• c: 26.8231 ± 0.0013 Å
• α: 90°
• β: 116.055 ± 0.003°
• γ: 90°
• Cell volume: 6267.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2084
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.2983
• Weighted residual factors for all reflections included in the refinement: 0.3317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No