Information card for entry 2006695

Structure parameters

• Common name: Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine
• Chemical name: Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine
• Formula: C26 H28 N2 O8 S2
• Calculated formula: C26 H28 N2 O8 S2
• SMILES: COC(=O)[C@@H](N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2C=C1)CSSC[C@H](N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2C=C1)C(=O)OC
• Title of publication: Dimethyl <i>N</i>,<i>N</i>'-Bis(<i>endo</i>-himmoyl)-(<i>R</i>,<i>R</i>)-cystine
• Authors of publication: Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; North, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1701 - 1703
• a: 8.39 ± 0.0009 Å
• b: 13.27 ± 0.002 Å
• c: 23.258 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2589.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections: 0.1939
• Weighted residual factors for significantly intense reflections: 0.1851
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.199
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No