Information card for entry 7202262

Structure parameters

• Formula: C14 H12 O6 S2
• Calculated formula: C14 H12 O6 S2
• Title of publication: Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring
• Authors of publication: Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1550
• a: 5.5518 ± 0.0004 Å
• b: 19.8748 ± 0.0014 Å
• c: 39.87 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4399.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No