Information card for entry 7048628

Structure parameters

• Formula: C60 H70 N10 S2 Ti
• Calculated formula: C60 H70 N10 S2 Ti
• Title of publication: Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator
• Authors of publication: Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 11.9485 ± 0.0005 Å
• b: 12.6031 ± 0.0006 Å
• c: 21.2454 ± 0.0008 Å
• α: 92.364 ± 0.004°
• β: 97.25 ± 0.003°
• γ: 118.055 ± 0.005°
• Cell volume: 2782.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No