Information card for entry 1575554

Structure parameters

• Formula: C42 H64 Al2 N4
• Calculated formula: C42 H64 Al2 N4
• Title of publication: Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.
• Authors of publication: Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17193 - 17199
• a: 13.63125 ± 0.00014 Å
• b: 20.16105 ± 0.00019 Å
• c: 15.3157 ± 0.00014 Å
• α: 90°
• β: 99.9088 ± 0.0009°
• γ: 90°
• Cell volume: 4146.28 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No