Information card for entry 7062652

Structure parameters

• Formula: C34 H33 B10 P
• Calculated formula: C34 H33 B10 P
• SMILES: P([C]1234[C]567(c8ccc(c9c%10c(c%11c(c9)cccc%11)cccc%10)cc8)[BH]891[BH]1%102[BH]2%114[BH]435[BH]356[BH]679[BH]781[BH]1%10%11[BH]243[BH]5671)(c1ccccc1)c1ccccc1
• Title of publication: Investigating stimuli-responsive luminescence and aggregation-induced emission properties of o-carborane-based luminophores modified with phenanthrene or anthracene
• Authors of publication: Wang, Li; Chen, Rong-Jian; Yan, Jian-Feng; Yuan, Yao-Feng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 16129 - 16135
• a: 20.073 ± 0.01 Å
• b: 22.99 ± 0.01 Å
• c: 16.078 ± 0.007 Å
• α: 90°
• β: 113.578 ± 0.014°
• γ: 90°
• Cell volume: 6800 ± 5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0804
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No