Information card for entry 4020436

Structure parameters

• Formula: C28 H30 N2 O3
• Calculated formula: C28 H30 N2 O3
• SMILES: [C@@H](c1ccccc1)(C(C)(C)C)N(C(=O)c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
• Authors of publication: Gregory K. Friestad; Cristian Draghici; Mustapha Soukri; Jun Qin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6330 - 6338
• a: 18.3858 ± 0.0003 Å
• b: 26.1493 ± 0.0004 Å
• c: 10.2794 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4942.09 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No