Information card for entry 7121913

Structure parameters

• Formula: C28 H34 B N
• Calculated formula: C28 H34 B N
• Title of publication: Transforming benzylideneamine N,C-chelate boron compounds to BN-cycloocta-/cyclohepta-trienes bearing a tetrasubstituted B[double bond, length as m-dash]N unit via photoisomerization.
• Authors of publication: Li, Hai-Jun; Mellerup, Soren K.; Wang, Xiang; Wang, Suning
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 59
• Pages of publication: 8245 - 8248
• a: 8.4716 ± 0.0003 Å
• b: 27.7566 ± 0.001 Å
• c: 11.7695 ± 0.0004 Å
• α: 90°
• β: 100.257 ± 0.001°
• γ: 90°
• Cell volume: 2723.29 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No