Information card for entry 2222960

Structure parameters

• Common name: Butoxymethionyldiazomethane
• Chemical name: <i>tert</i>-Butyl <i>N</i>-[1-diazoacetyl-3-(methylsulfanyl)propyl]carbamate
• Formula: C11 H19 N3 O3 S
• Calculated formula: C11 H19 N3 O3 S
• SMILES: S(CC[C@H](NC(=O)OC(C)(C)C)C(=O)C=N#N)C
• Title of publication: <i>tert</i>-Butyl <i>N</i>-[1-diazoacetyl-3-(methylsulfanyl)propyl]carbamate
• Authors of publication: Mehmood, Tahir; Zaidi, Javid H.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2120 - o2121
• a: 9.7915 ± 0.0003 Å
• b: 9.7915 ± 0.0003 Å
• c: 13.8581 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1150.62 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes