Information card for entry 2001319

Structure parameters

• Chemical name: cis-14-phenylsulfonyl-1,7,9-trioxadispiro[5.1.5.3]hexadecane
• Formula: C19 H26 O5 S
• Calculated formula: C21 H30 O5 S
• Title of publication: Structure of a bis-spiroacetal, <i>cis</i>-14-phenylsulfonyl-1,7,9-trioxadispiro[5.1.5.3]hexadecane
• Authors of publication: Baker, E. N.; Brimble, M. A.; Norris, G. E.; Quail, J. W.; Rush, C. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1857 - 1859
• a: 5.856 ± 0.005 Å
• b: 21.758 ± 0.004 Å
• c: 14.495 ± 0.004 Å
• α: 90°
• β: 98.16 ± 0.05°
• γ: 90°
• Cell volume: 1828.2 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.085
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No