Information card for entry 2204353

Structure parameters

• Chemical name: N,N'-bis(tert-butoxycarbonyl)cystamine
• Formula: C14 H28 N2 O4 S2
• Calculated formula: C14 H28 N2 O4 S2
• SMILES: O=C(OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C
• Title of publication: <i>N,N</i>'-bis(<i>tert</i>-butoxycarbonyl)cystamine
• Authors of publication: Bolte, Michael; Sakhaii, Peyman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1682 - o1683
• a: 19.674 ± 0.002 Å
• b: 9.6968 ± 0.0008 Å
• c: 9.8462 ± 0.0009 Å
• α: 90°
• β: 92.589 ± 0.005°
• γ: 90°
• Cell volume: 1876.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes