Information card for entry 7117044

Structure parameters

• Common name: Hiro-77
• Chemical name: compound12
• Formula: C27 H30 N2 O3
• Calculated formula: C27 H30 N2 O3
• SMILES: C1C[C@H]([C@@H]([C@@H](c2ccc3ccccc3c2)N1C(=O)c1ccc(cc1)N(=O)=O)C(C)(C)C)C.C1C[C@@H]([C@H]([C@H](c2ccc3ccccc3c2)N1C(=O)c1ccc(cc1)N(=O)=O)C(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: 7.215 ± 0.0002 Å
• b: 12.5739 ± 0.0004 Å
• c: 13.1379 ± 0.0004 Å
• α: 70.358 ± 0.001°
• β: 86.908 ± 0.001°
• γ: 85.384 ± 0.001°
• Cell volume: 1118.43 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No