Information card for entry 7062696

Structure parameters

• Formula: C29 H31 B10 F O
• Calculated formula: C29 H31 B10 F O
• SMILES: Fc1c(ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)c1)C(O)[C]1234[CH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]581[BH]16%12[BH]527[BH]2%131[BH]135[BH]%10%142[BH]49%111
• Title of publication: Facile synthesis, aggregation-induced emission, mechano- and thermochromism of o-carborane–tetraphenylethene dyads with a short CH(OH) linker
• Authors of publication: Li, Tianrui; Zhang, Hao; Miao, Jinling; Xu, Chunyue; Nie, Yong; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 18243 - 18250
• a: 9.8582 ± 0.0006 Å
• b: 11.8389 ± 0.0006 Å
• c: 13.8893 ± 0.0008 Å
• α: 77.753 ± 0.004°
• β: 88.625 ± 0.005°
• γ: 70.879 ± 0.005°
• Cell volume: 1494.92 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No