Information card for entry 7062651

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%10%11[BH]%1238[BH]384[BH]425[BH]253[BH]374[BH]691[BH]%1153[BH]%10%1282)(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: 8.615 ± 0.005 Å
• b: 11.155 ± 0.006 Å
• c: 17.89 ± 0.011 Å
• α: 80.41 ± 0.03°
• β: 79.43 ± 0.03°
• γ: 67.43 ± 0.03°
• Cell volume: 1551.8 ± 1.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0606
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No