Information card for entry 2200245

Structure parameters

• Chemical name: (S)-O-Succinimidyl N-[2-(tert-butoxycarbonylamino)propyl]carbamate
• Formula: C13 H21 N3 O6
• Calculated formula: C13 H21 N3 O6
• SMILES: C(C)(C)(C)OC(=O)N[C@@H](C)CNC(=O)ON1C(=O)CCC1=O
• Title of publication: (<i>S</i>)-<i>O</i>-Succinimidyl <i>N</i>-[2-(<i>tert</i>-butoxycarbonylamino)propyl]carbamate
• Authors of publication: Menschise, Valeria; Didierjean, Claude; Semetey, Vincent; Guichard, Gilles; Briand, Jean-Paul; Aubry, Andre
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o222 - o224
• a: 5.126 ± 0.0002 Å
• b: 8.565 ± 0.0004 Å
• c: 18.754 ± 0.0009 Å
• α: 90°
• β: 91.996 ± 0.003°
• γ: 90°
• Cell volume: 822.88 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes