Information card for entry 2004951

Structure parameters

• Formula: C17 H11 N O3 S
• Calculated formula: C17 H11 N O3 S
• SMILES: O=S1(=O)N=C(c2c1cccc2)Oc1cccc2c1cccc2
• Title of publication: 3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation
• Authors of publication: Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1576 - 1579
• a: 15.875 ± 0.009 Å
• b: 13.09 ± 0.01 Å
• c: 13.771 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2862 ± 3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0491
• Goodness-of-fit parameter for significantly intense reflections: 1.586
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No