Information card for entry 4121589

Structure parameters

• Formula: C25 H35 N O2
• Calculated formula: C25 H35 N O2
• SMILES: N([C@]1(O[C@@H](O[C@@H]1c1ccccc1)c1ccccc1)C(C)(C)C)(C(C)C)C(C)C.N([C@@]1(O[C@H](O[C@H]1c1ccccc1)c1ccccc1)C(C)(C)C)(C(C)C)C(C)C
• Title of publication: Comparative reactivity of different types of stable cyclic and acyclic mono- and diamino carbenes with simple organic substrates.
• Authors of publication: Martin, David; Canac, Yves; Lavallo, Vincent; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 13
• Pages of publication: 5023 - 5030
• a: 11.3259 ± 0.001 Å
• b: 8.9928 ± 0.0007 Å
• c: 22.3705 ± 0.0017 Å
• α: 90°
• β: 103.775 ± 0.003°
• γ: 90°
• Cell volume: 2212.9 ± 0.3 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No