Information card for entry 4133660

Structure parameters

• Chemical name: naphthalene_nPrNH2_MTAD
• Formula: C16 H21.31 N4 O2.66
• Calculated formula: C16 H21.314 N4 O2.657
• Title of publication: Palladium-Catalyzed Dearomative syn-1,4-Diamination.
• Authors of publication: Wertjes, William C.; Okumura, Mikiko; Sarlah, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 163 - 167
• a: 9.8206 ± 0.0004 Å
• b: 11.1581 ± 0.0005 Å
• c: 15.3236 ± 0.0007 Å
• α: 101.924 ± 0.001°
• β: 100.739 ± 0.001°
• γ: 100.154 ± 0.001°
• Cell volume: 1573.33 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0799
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No