Information card for entry 2000500

Structure parameters

• Formula: C13 H14 O S3
• Calculated formula: C13 H14 O S3
• Title of publication: <i>endo</i>-2-Phenyl-<i>exo</i>-3,4,5-trithiatricyclo[5.2.1.0^2,6^]decane <i>exo</i>-4-oxide
• Authors of publication: Watson, W. H.; Krawiec, M.; Ghosh, T.; Bartlett, P. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2092 - 2094
• a: 14.232 ± 0.003 Å
• b: 5.973 ± 0.001 Å
• c: 14.98 ± 0.002 Å
• α: 90°
• β: 93.52 ± 0.01°
• γ: 90°
• Cell volume: 1271 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0388
• Goodness-of-fit parameter for significantly intense reflections: 1.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKαradiation,graphitemonochromator
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No