Information card for entry 7131121

Structure parameters

• Formula: C35 H54 Al N3 O2
• Calculated formula: C35 H54 Al N3 O2
• 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: 11.2692 ± 0.0007 Å
• b: 13.0648 ± 0.0008 Å
• c: 13.0788 ± 0.0008 Å
• α: 90.535 ± 0.004°
• β: 100.124 ± 0.004°
• γ: 113.696 ± 0.004°
• Cell volume: 1728.94 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No