Information card for entry 4345771

Structure parameters

• Formula: C36 H56 Al N4 O1.5
• Calculated formula: C36 H56 Al N4 O1.5
• SMILES: [Al@H]1([O]=C2N(CCN2C)C)N(C(=CC(=C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• Title of publication: Unusual Reactions of NacNacAl with Urea and Phosphine Oxides
• Authors of publication: Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 8.9776 ± 0.0018 Å
• b: 35.496 ± 0.007 Å
• c: 11.535 ± 0.002 Å
• α: 90°
• β: 98.931 ± 0.002°
• γ: 90°
• Cell volume: 3631.3 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No