Information card for entry 2006823

Structure parameters

• Common name: 1,4,5,8-naphthalenetetracarboxylic-1,8:4,5-dianhydride
• Formula: C14 H4 O6
• Calculated formula: C14 H4 O6
• SMILES: O=C1OC(=O)c2c3c1ccc1c3c(cc2)C(=O)OC1=O
• 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: 7.88 ± 0.002 Å
• b: 5.322 ± 0.001 Å
• c: 12.6012 ± 0.0009 Å
• α: 90°
• β: 107.257 ± 0.009°
• γ: 90°
• Cell volume: 504.67 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No