Information card for entry 2214658

Structure parameters

• Common name: 2-naphthyl benzenesulfonate
• Chemical name: 2-Napthyl benzenesulfonate
• Formula: C16 H12 O3 S
• Calculated formula: C16 H12 O3 S
• SMILES: S(=O)(=O)(c1ccccc1)Oc1ccc2ccccc2c1
• Title of publication: 2-Naphthyl benzenesulfonate
• Authors of publication: Vembu, Nagarajan; Shafna, Karattu Chali; Sparkes, Hazel A.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3545 - o3545
• a: 11.891 ± 0.0011 Å
• b: 10.8909 ± 0.0012 Å
• c: 20.958 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2714.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes