Information card for entry 7131842

Structure parameters

• Formula: C117 H165 Al2 N8
• Calculated formula: C117 H165 Al2 N8
• Title of publication: On the competition between six-membered and five-membered NHC towards alane centered ring expansion.
• Authors of publication: Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Ravindranathan, Sapna; Gonnade, Rajesh G.; Sen, Sakya S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 55
• Pages of publication: 8540 - 8543
• a: 11.973 ± 0.003 Å
• b: 12.393 ± 0.003 Å
• c: 20.373 ± 0.004 Å
• α: 99.341 ± 0.007°
• β: 93.667 ± 0.007°
• γ: 113.676 ± 0.007°
• Cell volume: 2703.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1393
• 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