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Information card for entry 2200245
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| Coordinates | 2200245.cif |
|---|---|
| Structure factors | 2200245.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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