Information card for entry 7244337

Structure parameters

• Formula: C39 H49 N4 P
• Calculated formula: C39 H47 N4 P
• SMILES: P(Nc1c(C(C)C)cccc1C(C)C)(N=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides
• Authors of publication: Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4501 - 4509
• a: 9.4611 ± 0.0002 Å
• b: 12.4141 ± 0.0003 Å
• c: 16.7883 ± 0.0004 Å
• α: 101.57 ± 0.002°
• β: 100.081 ± 0.002°
• γ: 111.127 ± 0.002°
• Cell volume: 1734.64 ± 0.08 ų
• Cell temperature: 249.99 ± 0.1 K
• Ambient diffraction temperature: 249.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No