Information card for entry 2006822

Structure parameters

• Common name: 1,4,5,8-naphthalenetetracarboxylic acid cyclic 1,8-anhydride . 2 dimethyl sulfoxide
• Formula: C18 H18 O9 S2
• Calculated formula: C18 H18 O9 S2
• Title of publication: 1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride
• Authors of publication: Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1991 - 1995
• a: 8.584 ± 0.002 Å
• b: 8.893 ± 0.002 Å
• c: 13.851 ± 0.003 Å
• α: 106.94 ± 0.02°
• β: 101.9 ± 0.02°
• γ: 96.5 ± 0.02°
• Cell volume: 972.6 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 2.09
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No