Information card for entry 2008572

Structure parameters

• Formula: C16 H18 O S
• Calculated formula: C16 H18 O S
• SMILES: S(C(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]1c1ccc(cc1)C)C2)C.S(C(=O)[C@H]1[C@H]2C=C[C@@H]([C@@H]1c1ccc(cc1)C)C2)C
• Title of publication: Two new 2,3-substituted 5-norbornenes
• Authors of publication: Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 980 - 983
• a: 5.763 ± 0.001 Å
• b: 10.153 ± 0.002 Å
• c: 12.022 ± 0.002 Å
• α: 83.37 ± 0.01°
• β: 86.46 ± 0.01°
• γ: 78.83 ± 0.01°
• Cell volume: 684.9 ± 0.2 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: 0.103
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No