Information card for entry 4082252

Structure parameters

• Formula: C28 H44 Li2 N6 O2
• Calculated formula: C28 H44 Li2 N6 O2
• SMILES: [Li]123[N](C(=[N]1C(C)C)NC(C)C)(c1c([O]4C)cccc1)[Li]14[N](=C([N]31c1ccccc1[O]2C)NC(C)C)C(C)C
• Title of publication: Facile and Atom-Efficient Amidolithium-Catalyzed C‒C and C‒N Formation for the Construction of Substituted Guanidines and Propiolamidines
• Authors of publication: Ong, Tiow-Gan; O'Brien, Julie S.; Korobkov, Ilia; Richeson, Darrin S.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4728 - 4730
• a: 38.889 ± 0.006 Å
• b: 10.2786 ± 0.0013 Å
• c: 35.177 ± 0.004 Å
• α: 90°
• β: 116.908 ± 0.004°
• γ: 90°
• Cell volume: 12539 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4074306
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No