Information card for entry 7131128

Structure parameters

• Formula: C34 H38 B2 N2 O4
• Calculated formula: C34 H38 B2 N2 O4
• SMILES: [O]1=C(OC(C)(C)C)N2N(C(=[O][B]2(c2ccccc2)c2ccccc2)OC(C)(C)C)[B]1(c1ccccc1)c1ccccc1
• Title of publication: Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.
• Authors of publication: Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 6
• Pages of publication: 780 - 783
• a: 11.026 ± 0.0003 Å
• b: 17.8532 ± 0.0005 Å
• c: 16.0548 ± 0.0004 Å
• α: 90°
• β: 94.723 ± 0.001°
• γ: 90°
• Cell volume: 3149.65 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No