Information card for entry 2005150

Structure parameters

• Formula: C15 H20 O4 S
• Calculated formula: C15 H20 O4 S
• Title of publication: Intermediates in the Synthesis of (+)-Grandisol. I
• Authors of publication: Zukerman-Schpector, J.; Monteiro, H. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1767 - 1770
• a: 7.64 ± 0.001 Å
• b: 9.842 ± 0.001 Å
• c: 11.059 ± 0.001 Å
• α: 116.16 ± 0.01°
• β: 100.76 ± 0.01°
• γ: 90.26 ± 0.01°
• Cell volume: 729.69 ± 0.16 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1304
• Weighted residual factors for significantly intense reflections: 0.1152
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No