Information card for entry 2216069

Structure parameters

• Chemical name: <i>tert</i>-Butyl N-(3,6-dihydro-1,2-dioxin-4-ylmethyl)carbamate
• Formula: C10 H17 N O4
• Calculated formula: C10 H17 N O4
• SMILES: O=C(OC(C)(C)C)NCC1=CCOOC1
• Title of publication: <i>tert</i>-Butyl <i>N</i>-(3,6-dihydro-1,2-dioxin-4-ylmethyl)carbamate
• Authors of publication: Sejer Pedersen, Daniel; Taylor, Dennis K.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4301 - o4301
• a: 9.435 ± 0.004 Å
• b: 9.628 ± 0.004 Å
• c: 12.698 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1153.5 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes