Information card for entry 1548591

Structure parameters

• Formula: C25 H27 B O
• Calculated formula: C25 H27 B O
• SMILES: [B]1([O]=Cc2ccccc12)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: A simple multi-responsive system based on aldehyde functionalized amino-boranes.
• Authors of publication: Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1902 - 1911
• a: 8.488 ± 0.0006 Å
• b: 10.8609 ± 0.0007 Å
• c: 12.4693 ± 0.0009 Å
• α: 97.707 ± 0.002°
• β: 98.593 ± 0.002°
• γ: 105.796 ± 0.002°
• Cell volume: 1075.07 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0939
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No