Information card for entry 1513276

Structure parameters

• Formula: C14 H18 B10 I2
• Calculated formula: C14 H8 B10 I2
• SMILES: c1(ccc(cc1)I)[C]1234[C]567(c8ccc(cc8)I)[BH]891[BH]1%103[BH]3%118[BH]869[BH]697[BH]725[BH]256[BH]417[BH]%1032[BH]%11895
• Title of publication: Emission via Aggregation of Alternating Polymers witho-Carborane andp-Phenylene−Ethynylene Sequences
• Authors of publication: Kokado, Kenta; Chujo, Yoshiki
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1418
• a: 16.681 ± 0.003 Å
• b: 17.818 ± 0.003 Å
• c: 27.628 ± 0.005 Å
• α: 90°
• β: 104.62 ± 0.007°
• γ: 90°
• Cell volume: 7946 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No