Information card for entry 7228785

Structure parameters

• Formula: C36 H49 Al N2 O
• Calculated formula: C36 H49 Al N2 O
• SMILES: [AlH]1(OCc2ccccc2)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)
• Authors of publication: Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 59
• Pages of publication: 37315
• a: 9.4049 ± 0.0006 Å
• b: 17.1433 ± 0.0011 Å
• c: 20.5503 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3313.3 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125.07 K
• Number of distinct elements: 5
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No