Information card for entry 1513281

Structure parameters

• Formula: C30 H28 B10
• Calculated formula: C30 H18 B10
• SMILES: [C]1234(c5ccc(cc5)C#Cc5ccccc5)[BH]567[C]89%10(c%11ccc(cc%11)C#Cc%11ccccc%11)[BH]%1146[BH]461[BH]1%122[BH]235[BH]351[BH]782[BH]193[BH]%10%114[BH]6%1251
• 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: 11.167 ± 0.007 Å
• b: 7.445 ± 0.004 Å
• c: 32.828 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2729 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1706
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No