Information card for entry 2008534

Structure parameters

• Chemical name: 2-Acetyl-6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl 4-toluenesulfonate
• Formula: C25 H24 O4 S
• Calculated formula: C25 H24 O4 S
• SMILES: S(=O)(=O)(Oc1c(ccc2CC(CCc12)c1ccccc1)C(=O)C)c1ccc(cc1)C
• Title of publication: 2-Acetyl-6-phenyl-5,6,7,8-tetrahydro-1-naphthyl <i>p</i>-toluenesulfonate
• Authors of publication: Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 944 - 946
• a: 7.9607 ± 0.0002 Å
• b: 9.9649 ± 0.0002 Å
• c: 14.2553 ± 0.0003 Å
• α: 86.208 ± 0.001°
• β: 79.818 ± 0.001°
• γ: 73.889 ± 0.001°
• Cell volume: 1069.14 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.123
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No