Information card for entry 1575552

Structure parameters

• Formula: C42 H64 Al B N4
• Calculated formula: C42 H64 Al B 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: 10.3732 ± 0.0005 Å
• b: 12.2046 ± 0.0006 Å
• c: 18.1561 ± 0.0007 Å
• α: 91.465 ± 0.004°
• β: 106.113 ± 0.004°
• γ: 107.935 ± 0.004°
• Cell volume: 2085.41 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0623
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No