Information card for entry 7002917

Structure parameters

• Common name: (DBP)(H-TMG)
• Formula: C19 H35 N3 O
• Calculated formula: C19 H35 N3 O
• SMILES: N=C(N(C)C)N(C)C.Oc1c(cccc1C(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: 9.654 ± 0.004 Å
• b: 16.646 ± 0.007 Å
• c: 25.314 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4068 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No