Information card for entry 2207730

Structure parameters

• Chemical name: tert-Butyl (2-phenyl-1,2-dihydro-1-naphthyl)carbamate
• Formula: C21 H23 N O2
• Calculated formula: C21 H23 N O2
• SMILES: O=C(OC(C)(C)C)N[C@H]1c2ccccc2C=C[C@H]1c1ccccc1.O=C(OC(C)(C)C)N[C@@H]1c2ccccc2C=C[C@@H]1c1ccccc1
• Title of publication: <i>tert</i>-Butyl (2-phenyl-1,2-dihydro-1-naphthyl)carbamate
• Authors of publication: Dockendorff, Chris; Lautens, Mark; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o107 - o108
• a: 29.4222 ± 0.001 Å
• b: 5.4655 ± 0.0001 Å
• c: 21.7842 ± 0.0007 Å
• α: 90°
• β: 95.457 ± 0.0013°
• γ: 90°
• Cell volume: 3487.18 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes