Information card for entry 2204870

Structure parameters

• Chemical name: (1S,2R,4R,5R)-tert-Butyl N-(4-hydroxymethyl-6-oxabicyclo[3.1.0]hex-2-yl)carbamate
• Formula: C11 H19 N O4
• Calculated formula: C11 H19 N O4
• SMILES: N([C@H]1[C@@H]2O[C@@H]2[C@H](C1)CO)C(=O)OC(C)(C)C
• Title of publication: (1<i>S</i>,2<i>R</i>,4<i>R</i>,5<i>R</i>)-<i>tert</i>-Butyl <i>N</i>-(4-hydroxymethyl-6-oxabicyclo[3.1.0]hex-2-yl)carbamate
• Authors of publication: von Meltzer, Martin; Marsch, Michael; Carell, Thomas; Harms, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o23 - o24
• a: 9.4088 ± 0.0006 Å
• b: 10.2617 ± 0.0008 Å
• c: 12.6689 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1223.19 ± 0.15 ų
• Cell temperature: 193 ± 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 significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes