Information card for entry 2105535

Structure parameters

• Chemical name: 4,8-dimethoxy-5-(tosyloxy)-1-naphthaldehyde
• Formula: C20 H18 O6 S
• Calculated formula: C20 H18 O6 S
• SMILES: COc1ccc(c2c1c(ccc2OC)OS(=O)(=O)c1ccc(cc1)C)C=O
• Title of publication: Nucleophile‒Electrophile Interactions in 1,8-Disubstituted Naphthalenes: Structures of Three 1-Naphthaldehydes and a 1-Naphthyl Methyl Ketone
• Authors of publication: Gallucci, J. C.; Hart, D. J.; Young, D. G. J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 73 - 81
• a: 8.489 ± 0.001 Å
• b: 13.433 ± 0.002 Å
• c: 15.802 ± 0.001 Å
• α: 90°
• β: 97.431 ± 0.008°
• γ: 90°
• Cell volume: 1786.8 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0516
• Goodness-of-fit parameter for significantly intense reflections: 1.536
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No