Information card for entry 7002918

Structure parameters

• Common name: (4MeDBP)(HTMG)
• Formula: C20 H37 N3 O
• Calculated formula: C20 H37 N3 O
• SMILES: N=C(N(C)C)N(C)C.Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
• Title of publication: 1,1,3,3-Tetramethylguanidine solvated lanthanide aryloxides: pre-catalysts for intramolecular hydroalkoxylation
• Authors of publication: Janini, Thomas E.; Rakosi, III, Robert; Durr, Christopher B.; Bertke, Jeffrey A.; Bunge, Scott D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10601 - 10608
• a: 9.4695 ± 0.0018 Å
• b: 14.576 ± 0.003 Å
• c: 15.153 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2091.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No