Information card for entry 1555740

Structure parameters

• Formula: C27 H44 Al N3
• Calculated formula: C27 H44 Al N3
• SMILES: [AlH]1(N(c2c(cc(C)cc2C)C)C(C(N1c1c(cc(C)cc1C)C)C)(C)C)[N](CC)(C)C
• Title of publication: Aluminum Monohydride Catalyzed Selective Hydroboration of Carbonyl Compounds.
• Authors of publication: Jakhar, Vineet Kumar; Barman, Milan Kr; Nembenna, Sharanappa
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4710 - 4713
• a: 12.2925 ± 0.0007 Å
• b: 12.5244 ± 0.0006 Å
• c: 16.9143 ± 0.0009 Å
• α: 90°
• β: 98.731 ± 0.004°
• γ: 90°
• Cell volume: 2573.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No