Information card for entry 1504506

Structure parameters

• Formula: C22 H24 Cl N O3
• Calculated formula: C22 H24 Cl N O3
• SMILES: Clc1ccccc1[C@H]1N(C(=O)[C@]1(c1ccccc1)CC)C(=O)OC(C)(C)C
• Title of publication: Chiral N-heterocyclic carbene catalyzed staudinger reaction of ketenes with imines: highly enantioselective synthesis of N-Boc beta-lactams.
• Authors of publication: Zhang, Yan-Rong; He, Lin; Wu, Xu; Shao, Pan-Lin; Ye, Song
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 277 - 280
• a: 8.053 ± 0.0016 Å
• b: 13.987 ± 0.003 Å
• c: 9.301 ± 0.0019 Å
• α: 90°
• β: 95.53 ± 0.03°
• γ: 90°
• Cell volume: 1042.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No