Information card for entry 2226211

Structure parameters

• Chemical name: <i>tert</i>-Butyl 4-(2-diazoacetyl)piperazine-1-carboxylate
• Formula: C11 H18 N4 O3
• Calculated formula: C11 H18 N4 O3
• SMILES: O=C(N1CCN(CC1)C(=O)OC(C)(C)C)C=N#N
• Title of publication: <i>tert</i>-Butyl 4-(2-diazoacetyl)piperazine-1-carboxylate
• Authors of publication: Kaupang, Åsmund; Görbitz, Carl Henrik; Hansen, Tore
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1299
• a: 14.654 ± 0.01 Å
• b: 10.548 ± 0.007 Å
• c: 8.553 ± 0.006 Å
• α: 90°
• β: 91.122 ± 0.006°
• γ: 90°
• Cell volume: 1321.8 ± 1.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes