Information card for entry 7117043

Structure parameters

• Common name: Hiro-40
• Chemical name: compound11
• Formula: C26 H28 N2 O3
• Calculated formula: C26 H28 N2 O3
• SMILES: C1CC[C@@H]([C@@H](c2ccc3ccccc3c2)N1C(=O)c1ccc(cc1)N(=O)=O)C(C)(C)C.C1CC[C@H]([C@H](c2ccc3ccccc3c2)N1C(=O)c1ccc(cc1)N(=O)=O)C(C)(C)C
• Title of publication: Stereocontrolled synthesis of vicinally functionalized piperidines by nucleophilic beta-addition of alkyllithiums to alpha-aryl substituted piperidine enecarbamates
• Authors of publication: Timothy K. Beng; Hironori Takeuchi; Manuel Weber; Richmond Sarpong
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7653
• a: 7.2482 ± 0.0008 Å
• b: 12.373 ± 0.0013 Å
• c: 24.27 ± 0.003 Å
• α: 90°
• β: 97.43 ± 0.002°
• γ: 90°
• Cell volume: 2158.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No