Information card for entry 2007810

Structure parameters

• Formula: C15 H18 O2 S
• Calculated formula: C15 H18 O2 S
• SMILES: S(=O)(=O)([C@]12C(=CC[C@]1(CC2)C)C)c1ccccc1
• Title of publication: Intermediates in the Synthesis of (+)-Grandisol. III. (1<i>S</i>,5<i>R</i>)-2,5-Dimethyl-1-(phenylsulfonyl)bicyclo[3.2.0]hept-2-ene
• Authors of publication: Zukerman-Schpector, J.; Monteiro, Hugo J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1673 - 1675
• a: 7.6013 ± 0.0006 Å
• b: 11.771 ± 0.001 Å
• c: 14.896 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1332.8 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No