Information card for entry 1506053

Structure parameters

• Formula: C24 H40 N2 O
• Calculated formula: C24 H40 N2 O
• SMILES: O=C1N(CCN(C1)[C@@H]1[C@@]2(CC[C@H](C1(C)C)C2)C)[C@@H]1[C@@]2(CC[C@H](C1(C)C)C2)C
• Title of publication: Unexpected ring expansion of an enantiopure imidazoline carbene ligand.
• Authors of publication: Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3049 - 3051
• a: 6.5081 ± 0.0013 Å
• b: 11.812 ± 0.002 Å
• c: 27.375 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2104.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1109
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No