Information card for entry 2235917

Structure parameters

• Chemical name: 1-(Phenylsulfonyl)naphthalene
• Formula: C16 H12 O2 S
• Calculated formula: C16 H12 O2 S
• SMILES: c1(cccc2ccccc12)S(=O)(=O)c1ccccc1
• Title of publication: 1-(Phenylsulfonyl)naphthalene
• Authors of publication: Fu, Ying; Zhu, Wenbo; Hou, Hongxia; He, Yinxia; Li, Hulin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2434
• a: 7.721 ± 0.007 Å
• b: 9.444 ± 0.009 Å
• c: 9.726 ± 0.009 Å
• α: 86.669 ± 0.008°
• β: 74.69 ± 0.008°
• γ: 69.995 ± 0.007°
• Cell volume: 642.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes