Information card for entry 7131844

Structure parameters

• Formula: C29 H42 Al F3 N2 O3 S
• Calculated formula: C29 H42 Al F3 N2 O3 S
• 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: 10.812 ± 0.007 Å
• b: 16.198 ± 0.011 Å
• c: 17.618 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3085 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No