Information card for entry 1513280

Structure parameters

• Formula: C14 H18 B10 I2
• Calculated formula: C14 H8 B10 I2
• SMILES: [C]1234(c5ccc(cc5)I)[BH]567[C]89%10(c%11ccc(cc%11)I)[BH]%1115[BH]153[BH]39%11[BH]9%11%10[BH]%1078[BH]726[BH]29%10[BH]417[BH]53%112
• Title of publication: Luminescentm-Carborane-Based π-Conjugated Polymer
• Authors of publication: Kokado, Kenta; Tokoro, Yuichiro; Chujo, Yoshiki
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2925
• a: 7.725 ± 0.002 Å
• b: 15.32 ± 0.004 Å
• c: 16.871 ± 0.006 Å
• α: 90°
• β: 97.306 ± 0.016°
• γ: 90°
• Cell volume: 1980.4 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No