Information card for entry 7712761

Structure parameters

• Formula: C37 H53 Al N2
• Calculated formula: C37 H53 Al N2
• SMILES: [AlH2](=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction
• Authors of publication: Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.1559 ± 0.0001 Å
• b: 17.0754 ± 0.0002 Å
• c: 17.5505 ± 0.0002 Å
• α: 90°
• β: 104.052 ± 0.001°
• γ: 90°
• Cell volume: 3533.89 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0512
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No