Information card for entry 2214835

Structure parameters

• Chemical name: (S)-N-(Phenylsulfanyl-[1,2-^13^C~2~]-acetyl)-2,10-camphorsultam
• Formula: C18 H23 N O3 S2
• Calculated formula: C18 H23 N O3 S2
• SMILES: S1(=O)(=O)N(C(=O)CSc2ccccc2)[C@H]2C[C@@H]3CC[C@]2(C3(C)C)C1
• Title of publication: (<i>S</i>)-<i>N</i>-(Phenylsulfanyl-[1,2-^13^<i>C</i>~2~]-acetyl)-2,10-camphorsultam
• Authors of publication: Ernest M. Asani; David R. Glass; Rodolfo A. Martinez; Tatiana V. Timofeeva
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3450 - o3450
• a: 7.7413 ± 0.0016 Å
• b: 14.37 ± 0.003 Å
• c: 15.951 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1774.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0223
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes