Information card for entry 1548590

Structure parameters

• Formula: C39 H42 B N O
• Calculated formula: C39 H42 B N O
• SMILES: [O]1[B](c2c(C=1)cc(cc2)c1ccc(N(C)C)cc1)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.c1ccccc1
• 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: 38.4003 ± 0.0015 Å
• b: 9.7146 ± 0.0004 Å
• c: 18.3058 ± 0.0008 Å
• α: 90°
• β: 114.338 ± 0.002°
• γ: 90°
• Cell volume: 6222 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No