Information card for entry 1517889

Structure parameters

• Common name: HM-II-156A-needles
• Chemical name: tostediazene
• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• Title of publication: Enantioselective α-Amination Enabled by a BINAM-Derived Phase-Transfer Catalyst.
• Authors of publication: Nelson, H. M.; Patel, J. S.; Shunatona, H. P.; Toste, F. D.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 170 - 173
• a: 5.7962 ± 0.0003 Å
• b: 29.2094 ± 0.0014 Å
• c: 15.6928 ± 0.0008 Å
• α: 90°
• β: 97.272 ± 0.003°
• γ: 90°
• Cell volume: 2635.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No