Information card for entry 1506584

Structure parameters

• Formula: C22 H28 N2 O
• Calculated formula: C22 H28 N2 O
• SMILES: N1([C]N(C=C1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.OC
• Title of publication: N-heterocyclic carbene-catalyzed amidation of unactivated esters with amino alcohols.
• Authors of publication: Movassaghi, Mohammad; Schmidt, Michael A.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2453 - 2456
• a: 14.9026 ± 0.0016 Å
• b: 16.6125 ± 0.0017 Å
• c: 7.8304 ± 0.0008 Å
• α: 90°
• β: 94.235 ± 0.002°
• γ: 90°
• Cell volume: 1933.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No