Information card for entry 1554616

Structure parameters

• Formula: C17 H22 B10
• Calculated formula: C17 H22 B10
• SMILES: [C]1234([BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[CH]291[BH]168[BH]734[BH]5%1121)Cc1c2ccccc2cc2ccccc12
• Title of publication: Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.
• Authors of publication: Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario
• Journal of publication: Biomaterials science
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 5324 - 5337
• a: 6.9712 ± 0.0005 Å
• b: 11.7604 ± 0.0007 Å
• c: 12.9797 ± 0.0006 Å
• α: 107.511 ± 0.002°
• β: 102.996 ± 0.003°
• γ: 102.125 ± 0.003°
• Cell volume: 943.63 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No