Information card for entry 1555768

Structure parameters

• Common name: gamma-hydroxy-beta-lactam, methyl cyclohexyl derivative
• Formula: C19 H27 N O2
• Calculated formula: C19 H27 N O2
• SMILES: c1ccccc1CN1CC[C@@H](C1=O)[C@@H](O)CC1CCCCC1
• Title of publication: Exploring the Scope of Asymmetric Synthesis of β-Hydroxy-γ-lactams via Noyori-type Reductions.
• Authors of publication: Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4978 - 4981
• a: 11.0767 ± 0.0003 Å
• b: 6.1023 ± 0.0002 Å
• c: 13.1637 ± 0.0004 Å
• α: 90°
• β: 104.848 ± 0.001°
• γ: 90°
• Cell volume: 860.07 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No