Information card for entry 7062237

Structure parameters

• Formula: C17 H23 B10 N
• Calculated formula: C17 H23 B10 N
• SMILES: N([C]1234[CH]567[BH]893[BH]3%102[BH]2%111[BH]145[BH]457[BH]769[BH]68%10[BH]832[BH]%1114[BH]5768)Cc1c2ccccc2cc2ccccc12
• Title of publication: Bridged o-carborane–anthracene dyads as dual state emission luminogens: synthesis, characterization, and mechanochromic properties
• Authors of publication: Xu, Chunyue; Li, Tianrui; Miao, Jinling; Liu, Kexin; Nie, Yong; Liu, Guangning; Jiang, Xuchuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 4448 - 4456
• a: 24.8057 ± 0.0006 Å
• b: 15.1639 ± 0.0004 Å
• c: 21.0939 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7934.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No